SCHEMBL10686304

SCHEMBL10686304

C=CC(=O)OCCc1ccc(C(=O)O)c(CCOC(=O)C=C)c1CCOC(=O)C=C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.48
TSHR P16473 7/20 0.43
ALDH1A1 P00352 5/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP3A4 P08684 3/20 0.40
HCAR2 Q8TDS4 1/20 0.38
HPGD P15428 2/20 0.37
AKR1B10 O60218 4/20 0.36
AKR1B1 P15121 4/20 0.36
MAOB P27338 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
MET P08581 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 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
SCHEMBL9634091 0.92 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL8551749 0.89 THRB (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL2321137 0.89 THRB (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL27407039 0.87 THRB (0.49) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL29597270 0.84 THRB (0.49) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL2320055 0.83 THRB (0.55) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL9634868 0.83 TSHR (0.52) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL23881987 0.82 THRB (0.43) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10391374 0.82 TSHR (0.49) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL57687 0.82 THRB (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4767883-A PHOTORESISTS; FLEXIBILITY; LOW VISCOSITY, HIGH GLASS TRANSITION TEMPERATURE; CROSSLINKABLE EASTMAN KODAK COMPANY (US) 1988-08-30 US disclosed