SCHEMBL3138267

SCHEMBL3138267

C=C(C)C(=O)OCCSCc1ccc(-c2ccc(CSCCOC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 3/20 0.39
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 4/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4447117 0.95 THRB (0.43) THRBPOLBAPEX1HTTTDP1
SCHEMBL12960322 0.91 HRH3 (0.42) THRBPOLBAPEX1HTTTDP1
SCHEMBL8982153 0.90 THRB (0.39) THRBPOLBAPEX1HTTTDP1
SCHEMBL7519970 0.88 CYP2C19 (0.50) THRBPOLBAPEX1HTTTDP1
SCHEMBL13261677 0.86 THRB (0.40) THRBPOLBAPEX1HTTTDP1
SCHEMBL13484338 0.85 LMNA (0.36) THRBPOLBAPEX1HTTTDP1
SCHEMBL13696520 0.84 CYP2C19 (0.43) THRBPOLBAPEX1HTTTDP1
SCHEMBL4457186 0.84 CYP1A2 (0.40) THRBPOLBAPEX1HTTTDP1
SCHEMBL12960353 0.82 MCHR1 (0.36) POLBTDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL14139774 0.82 TDP1 (0.36) THRBPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139878-A2 HIGH REFRACTIVE INDEX MONOMERS, COMPOSITIONS AND USES THEREOF BASF SE (DE) 2010-01-06 EP disclosed
WO-2008101806-A2 HIGH REFRACTIVE INDEX MONOMERS, COMPOSITIONS AND USES THEREOF BASF SE (CH) 2008-08-28 WO disclosed
WO-2008101806-A2 HIGH REFRACTIVE INDEX MONOMERS, COMPOSITIONS AND USES THEREOF BASF SE (CH) 2008-08-28 WO disclosed
US-20080200582-A1 High refractive index monomers, compositions and uses thereof CIBA CORP. 2008-08-21 US disclosed
US-20080200582-A1 High refractive index monomers, compositions and uses thereof CIBA CORP. 2008-08-21 US disclosed
US-20080200582-A1 High refractive index monomers, compositions and uses thereof CIBA CORP. 2008-08-21 US disclosed