SCHEMBL11618005

SCHEMBL11618005

COCc1ccc(C(=O)c2ccccc2)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
HPGD P15428 2/20 0.47
CYP2C19 P33261 2/20 0.47
ELANE P08246 2/20 0.46
CDC25A P30304 1/20 0.46
CDC25B P30305 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SRD5A2 P31213 2/20 0.46
ATM Q13315 2/20 0.46
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL11358475 0.88 KDM4E (0.53) POLBTDP1L3MBTL1KDM4ECYP1A2
SCHEMBL11621722 0.83 AKR1C3 (0.47) MEN1KMT2AALDH1A1AKR1C3
SCHEMBL11619384 0.81 KDM4E (0.54) POLBTDP1L3MBTL1KDM4EELANE
SCHEMBL1558507 0.79 L3MBTL1 (0.51) L3MBTL1KDM4ECYP1A2CYP2D6HPGD
SCHEMBL19320835 0.78 ACMSD (0.53) CYP2C19
SCHEMBL11617866 0.78 HSD17B3 (0.47) POLBTDP1L3MBTL1CYP1A2HPGD
SCHEMBL534811 0.77 HTT (0.56) TDP1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL31617745 0.77 HTT (0.56) TDP1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL8082162 0.76 HPGD (0.71) L3MBTL1KDM4ECYP1A2CYP2D6HPGD
SCHEMBL27541096 0.76 LMNA (0.50) POLBTDP1L3MBTL1KDM4ECDC25B

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-4127666-A ANTIEMETIC UNIVERSITE D'ORLEANS (FR) 1978-11-28 US disclosed