SCHEMBL2210068

SCHEMBL2210068

C=C(C(=O)O)C(=S)CCSCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.60
HPGD P15428 6/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.43
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TP53 P04637 2/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7517948 0.80 CYP2C19 (0.68) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL724648 0.76 CYP2C19 (0.72) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL44801 0.76 CYP2C19 (1.00) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL11291081 0.75 CYP2C19 (0.70) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL711308 0.74 CES1 (0.50) ALDH1A1LMNAHTTGAACYP3A4
SCHEMBL7524420 0.74 CYP2C19 (0.59) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL4133539 0.73 CYP2C19 (0.72) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL4050426 0.73 CYP2C19 (0.72) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL5935700 0.73 CYP2C19 (0.72) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL11260584 0.73 CYP2C19 (0.72) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745620-A1 Polymerisable compositions based on thio(meth)acrylate monomers, polymers having low yellowness index made from these compositions and ophthalmic lenses made therefrom ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-12-04 EP claimed
US-7981944-B2 Mixture of acrylated esters; photoinitiators ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2011-07-19 US disclosed
US-7618141-B2 Polymerizable composition containing an odor masking agent and a perfume, an optical lens and a production method ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2009-11-17 US disclosed
EP-1629308-B1 PHOTOCURABLE ADHESIVE COMPOSITION AND ITS USE IN THE OPTICAL FIELD ESSILOR INT (FR) 2008-10-08 EP disclosed
US-20080013042-A1 Polymerizable Composition Containing An Odor Masking Agent And A Perfume, An Optical Lens And A Production Method ESSILOR INTERNATIONAL (FR) 2008-01-17 US disclosed
US-20070087123-A1 Photocurable adhesive composition and its use in the optical field ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2007-04-19 US disclosed
EP-1771489-A1 POLYMERISABLE COMPOSITION CONTAINING AN ODOUR MASKING AGENT AND A PERFUME, AN OPTICAL LENS AND A PRODUCTION METHOD ESSILOR INTERNATIONAL (Compagnie Générale d'Optique) (FR) 2007-04-11 EP disclosed
EP-1629308-A1 PHOTOCURABLE ADHESIVE COMPOSITION AND ITS USE IN THE OPTICAL FIELD ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-03-01 EP disclosed
WO-2006005874-A1 POLYMERISABLE COMPOSITION CONTAINING AN ODOUR MASKING AGENT AND A PERFUME, AN OPTICAL LENS AND A PRODUCTION METHOD ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2006-01-19 WO disclosed
WO-2004092787-A1 PHOTOCURABLE ADHESIVE COMPOSITION AND ITS USE IN THE OPTICAL FIELD ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2004-10-28 WO disclosed
EP-0986590-B1 POLYMERISABLE COMPOSITION FOR MAKING OPTICAL LENS WITH HIGH REFRACTIVE INDEX AND HIGH ABBE NUMBER, AND RESULTING LENS ESSILOR INT (FR) 2004-01-21 EP disclosed
EP-0986767-B1 OPTICAL LENS IN TRANSPARENT ORGANIC POLYMER MATERIAL WITH HIGH REFRACTIVE INDEX AND HIGH ABBE NUMBER ESSILOR INT (FR) 2002-09-18 EP disclosed
EP-1137681-A1 POLYMERISABLE COMPOSITIONS FOR MAKING TRANSPARENT POLYMER SUBSTRATES, RESULTING POLYMER SUBSTRATES AND THEIR USES IN OPTICS ESSILOR INTERNATIONAL (Compagnie Générale d'Optique) (FR) 2001-10-04 EP disclosed
WO-2001025302-A1 POLYMERISABLE COMPOSITIONS FOR MAKING TRANSPARENT POLYMER SUBSTRATES, RESULTING POLYMER SUBSTRATES AND THEIR USES IN OPTICS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-04-12 WO disclosed
EP-0986590-A1 POLYMERISABLE COMPOSITION FOR MAKING OPTICAL LENS WITH HIGH REFRACTIVE INDEX AND HIGH ABBE NUMBER, AND RESULTING LENS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2000-03-22 EP disclosed
EP-0986767-A1 OPTICAL LENS IN TRANSPARENT ORGANIC POLYMER MATERIAL WITH HIGH REFRACTIVE INDEX AND HIGH ABBE NUMBER ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2000-03-22 EP disclosed
WO-1999051652-A1 POLYMERISABLE COMPOSITION FOR MAKING OPTICAL LENS WITH HIGH REFRACTIVE INDEX AND HIGH ABBE NUMBER, AND RESULTING LENS ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1999-10-14 WO disclosed
WO-1999052000-A1 OPTICAL LENS IN TRANSPARENT ORGANIC POLYMER MATERIAL WITH HIGH REFRACTIVE INDEX AND HIGH ABBE NUMBER ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1999-10-14 WO disclosed
EP-0745620-A1 Polymerisable compositions based on thio(meth)acrylate monomers, polymers having low yellowness index made from these compositions and ophthalmic lenses made therefrom ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 1996-12-04 EP disclosed