SCHEMBL15425834

SCHEMBL15425834

O=COc1ccc(-c2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.53
KDM4E B2RXH2 2/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PTPN11 Q06124 5/20 0.40
ACMSD Q8TDX5 4/20 0.40
MCL1 Q07820 4/20 0.40
HNF4A P41235 2/20 0.40
DHFR P00374 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
LCK P06239 1/20 0.38
APAF1 O14727 1/20 0.37
RECQL P46063 1/20 0.37
CASP6 P55212 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
CASP8 Q14790 1/20 0.37

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
SCHEMBL12997844 0.92 CFD (0.47) CFDKDM4EGFERKMT2ARXFP1
SCHEMBL14182682 0.80 HNF4A (0.57) CFDKDM4EACMSDHNF4AALDH1A1
SCHEMBL30690397 0.79 KMT2A (0.62) CFDKDM4EGFERKMT2ARXFP1
SCHEMBL16852603 0.79 PPM1B (0.54) CFDKDM4EGFERKMT2ARXFP1
SCHEMBL30690398 0.79 KMT2A (0.62) CFDKDM4EGFERKMT2ARXFP1
SCHEMBL33365 0.79 KMT2A (0.62) CFDKDM4EGFERKMT2ARXFP1
SCHEMBL28101343 0.79 CA12 (0.52) CFDKDM4EKMT2AALDH1A1PTPN1
SCHEMBL22975363 0.79 KDM4E (0.52) CFDKDM4EKMT2ARXFP1ALDH1A1
SCHEMBL14944744 0.77 LCK (0.42) CFDKDM4EALDH1A1LCKHSD17B10
SCHEMBL10022810 0.77 MCL1 (0.40) CFDKDM4EKMT2APTPN11ACMSD

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-20140018460-A1 COMPOSITIONS FOR IMPROVING POLYESTERS NEXAM CHEMICAL AB (SE) 2014-01-16 US disclosed