SCHEMBL12432133

SCHEMBL12432133

CCCSCc1ccc(CSCCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
RECQL P46063 1/20 0.41
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
TYR P14679 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL25636409 0.93 RECQL (0.38) IDO1RECQLCYP2C19ALDH1A1GAA
SCHEMBL13870175 0.91 RECQL (0.53) IDO1RECQLALDH1A1GAALMNA
SCHEMBL27820046 0.89 ESR1 (0.45) IDO1CYP2C19ALDH1A1GAACYP3A4
SCHEMBL13799444 0.89 MEN1 (0.50) IDO1CYP2C19ALDH1A1CYP1A2CYP2D6
SCHEMBL693168 0.87 CYP2C19 (0.55) CYP2C19ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL25636457 0.87 BCHE (0.39) IDO1RECQLCYP2C19ALDH1A1GAA
SCHEMBL13778145 0.85 BCHE (0.42) ALDH1A1LMNABCHEACHETYR
SCHEMBL8019398 0.84 LMNA (0.42) RECQLCYP2C19ALDH1A1GAACYP1A2
SCHEMBL18781368 0.84 CYP1A2 (0.60) CYP2C19ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2893934 0.84 CYP2C19 (0.34) IDO1RECQLCYP2C19ALDH1A1GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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