SCHEMBL9315216

SCHEMBL9315216

COc1ccc2cc(C(=O)O)[nH]c2c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
EIF4A3 P38919 2/20 0.51
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA3 P07451 1/20 0.46
PKM P14618 1/20 0.46
CA5A P35218 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
SCHEMBL8985908 0.86 HPGD (0.59) HPGDKDM4EALDH1A1LMNAEIF4A3
SCHEMBL1145054 0.84 HPGD (0.70) HPGDKDM4EALDH1A1LMNAEIF4A3
SCHEMBL8985835 0.84 HPGD (0.60) HPGDKDM4EALDH1A1LMNAEIF4A3
SCHEMBL4406397 0.81 CNR2 (0.62) HPGDKDM4EALDH1A1HSD17B10CNR2
SCHEMBL1144995 0.79 HPGD (0.62) HPGDKDM4EALDH1A1LMNAMEN1
SCHEMBL16428858 0.78 HPGD (0.57) HPGDKDM4EALDH1A1LMNAEIF4A3
SCHEMBL9315240 0.78 HPGD (0.61) HPGDKDM4EALDH1A1LMNAEIF4A3
SCHEMBL9350768 0.77 MCL1 (0.40) HPGDKDM4EALDH1A1LMNAMEN1
SCHEMBL3599550 0.76 HPGD (0.63) HPGDKDM4EALDH1A1LMNAEIF4A3
SCHEMBL3602542 0.76 KDM4E (1.00) HPGDKDM4EALDH1A1LMNAMEN1

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-5354870-A Hair dyes L'OREAL (FR) 1994-10-11 US disclosed