SCHEMBL3102174

SCHEMBL3102174

C=CC(=O)OCCOc1ccc(Sc2ccc(OCCOC(=O)C=C)c(C)c2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 5/20 0.40
ALDH1A1 P00352 4/20 0.40
TP53 P04637 3/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PPARD Q03181 8/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 2/20 0.37
FDPS P14324 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 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
SCHEMBL39813 0.85 THRB (0.51) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL3100741 0.84 THRB (0.48) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL14173098 0.82 THRB (0.49) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL14173095 0.81 THRB (0.48) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL25015137 0.81 THRB (0.43) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL14173099 0.80 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL4953774 0.80 PPARD (0.38) THRBALDH1A1PPARDPPARALMNA
SCHEMBL1828411 0.79 THRB (0.62) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL14173241 0.78 THRB (0.71) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL3102899 0.78 THRB (0.71) THRBTSHRALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799844-B2 Active energy beam-curable composition for optical material TOAGOSEI CO., LTD. (JP) 2010-09-21 US claimed
US-20070043143-A1 Active energy beam-curable composition for optical material THOMSON LICENSING (FR) 2007-02-22 US claimed
US-7799844-B2 Active energy beam-curable composition for optical material TOAGOSEI CO., LTD. (JP) 2010-09-21 US disclosed
US-20070043143-A1 Active energy beam-curable composition for optical material THOMSON LICENSING (FR) 2007-02-22 US disclosed