SCHEMBL6964064

SCHEMBL6964064

COc1cccc(CC([O])=O)c1OC

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
GLS O94925 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HIF1A Q16665 1/20 0.49
ATM Q13315 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA14 Q9ULX7 1/20 0.48
NFE2L2 Q16236 2/20 0.47
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46

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
SCHEMBL991380 0.86 KMT2A (0.54) KMT2AMEN1GLSALDH1A1HIF1A
SCHEMBL2586902 0.86 CYP3A4 (0.53) KMT2AMEN1GLSALDH1A1HIF1A
SCHEMBL29639215 0.86 KMT2A (0.54) KMT2AMEN1GLSALDH1A1HIF1A
SCHEMBL27336582 0.84 KMT2A (0.52) KMT2AMEN1GLSALDH1A1HIF1A
SCHEMBL1032325 0.84 CA12 (0.50) KMT2AMEN1GLSALDH1A1HIF1A
SCHEMBL2532788 0.84 KMT2A (0.49) KMT2AMEN1GLSALDH1A1HIF1A
Hydrochloric Acid SCHEMBL2532791 0.84 KMT2A (0.55) KMT2AMEN1GLSALDH1A1HIF1A
SCHEMBL710329 0.83 LMNA (0.56) KMT2AMEN1ATMTSHRLMNA
SCHEMBL10714737 0.83 KMT2A (0.55) KMT2AMEN1GLSALDH1A1HIF1A
SCHEMBL11230181 0.81 KMT2A (0.47) KMT2AMEN1GLSALDH1A1HIF1A

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed