SCHEMBL11025249

SCHEMBL11025249

C=CC(=O)OOC(=O)c1ccc(C(=O)OOC(=O)C=C)c(CC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.37
ALDH1A1 P00352 9/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
THRB P10828 5/20 0.35
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
THRA P10827 2/20 0.33
KMT2A Q03164 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
SCHEMBL27808859 0.85 HPGD (0.37) KDM4EALDH1A1HPGDTHRBHSD17B10
SCHEMBL27421953 0.77 TSHR (0.43) KDM4EALDH1A1HSD17B10LMNACA12
SCHEMBL27396166 0.76 TSHR (0.42) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL29378621 0.76 CA12 (0.43) KDM4EALDH1A1MAPTLMNACA12
SCHEMBL29907791 0.75 CA1 (0.56) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL28805865 0.74 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL28124019 0.73 TSHR (0.48) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL27886409 0.73 PRKCA (0.39) KDM4EALDH1A1LMNACA12CA1
SCHEMBL12796984 0.73 KDM4E (0.62) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL3641617 0.73 ALDH1A1 (0.43) KDM4EALDH1A1MAPTHPGDGLA

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-4542164-A BROMINATED BISPHENOL A EPOXY RESIN, THEMOPLASTIC TORAY INDUSTRIES, INCORPORATED (JP) 1985-09-17 US disclosed