SCHEMBL4788075

SCHEMBL4788075

COc1cc(C(=O)O)c(-c2ccccc2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.51
PDE10A Q9Y233 1/20 0.51
KDM4E B2RXH2 5/20 0.50
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
FABP3 P05413 1/20 0.50
FABP4 P15090 1/20 0.50
FABP5 Q01469 1/20 0.50
ALOX15 P16050 1/20 0.49
CYP2C9 P11712 1/20 0.48
HIF1A Q16665 1/20 0.48
HTT P42858 1/20 0.46
ATM Q13315 3/20 0.46
HSD17B10 Q99714 2/20 0.45
DHODH Q02127 2/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
APAF1 O14727 1/20 0.44
RECQL P46063 1/20 0.44
CASP6 P55212 1/20 0.44

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
SCHEMBL6933881 0.84 KDM4E (0.54) PDE10AKDM4EHPGDALDH1A1CYP2C9
SCHEMBL14052589 0.82 HPGD (0.46) KDM4EHPGDALDH1A1ALOX15CYP2C9
SCHEMBL2018471 0.80 FABP3 (0.47) CDC25BPDE10AKDM4EHPGDALDH1A1
SCHEMBL976330 0.80 KDM4E (0.57) CDC25BPDE10AKDM4EHPGDALDH1A1
SCHEMBL18600627 0.80 CDC25B (0.58) CDC25BPDE10AKDM4EHPGDALDH1A1
SCHEMBL7813325 0.80 PDE10A (0.51) CDC25BPDE10AKDM4EHPGDALDH1A1
SCHEMBL15763605 0.79 FOLH1 (0.51) KDM4EALDH1A1MCL1L3MBTL1
SCHEMBL1010666 0.78 ACMSD (0.46) PDE10AKDM4EHPGDALDH1A1FABP3
SCHEMBL9933239 0.78 PDE10A (0.49) PDE10AKDM4EHPGDALDH1A1FABP3
SCHEMBL6638956 0.77 KDM4E (0.53) PDE10AKDM4EHPGDALDH1A1FABP3

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
WO-2008126104-A2 NOVEL PROCESS FOR PREPARATION OF ADAPALENE INDOCO REMEDIES LIMITED (IN) 2008-10-23 WO claimed