SCHEMBL9813471

SCHEMBL9813471

O=C(O)c1ccc(-c2c(-c3ccccc3)ccc(C(=O)O)c2C(=O)O)cc1C(=O)O.c1ccc(-c2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 5/20 0.53
HNF4A P41235 3/20 0.47
MCL1 Q07820 2/20 0.47
DHFR P00374 1/20 0.47
PTPN1 P18031 2/20 0.45
CDC25B P30305 2/20 0.44
ATM Q13315 1/20 0.44
DCLRE1A Q6PJP8 1/20 0.43
DCLRE1B Q9H816 1/20 0.43
KMO O15229 1/20 0.42
ACLY P53396 2/20 0.42
CDC25A P30304 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DHODH Q02127 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
SOS1 Q07889 1/20 0.39

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
SCHEMBL6114449 0.94 PTPN1 (0.46) ACMSDHNF4AMCL1DHFRPTPN1
SCHEMBL3807758 0.88 ACMSD (0.45) ACMSDHNF4AMCL1DHFRPTPN1
SCHEMBL21486 0.83 HNF4A (0.52) ACMSDHNF4APTPN1CDC25BATM
Biphenyl SCHEMBL2775900 0.81 PTPN1 (0.53) ACMSDHNF4AMCL1DHFRPTPN1
SCHEMBL23175100 0.80 AKR1C3 (0.46) MCL1KMOACLYHSD17B10
SCHEMBL28279304 0.79 ACMSD (0.67) ACMSDHNF4AMCL1DHFRPTPN1
SCHEMBL30365332 0.79 ACMSD (0.67) ACMSDHNF4AMCL1DHFRPTPN1
SCHEMBL30616786 0.79 ACMSD (0.70) ACMSDHNF4AMCL1DHFRPTPN1
SCHEMBL8999909 0.79 ACMSD (0.66) ACMSDHNF4AMCL1DHFRPTPN1
SCHEMBL68982 0.79 ACMSD (0.70) ACMSDHNF4AMCL1DHFRPTPN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0247731-B1 NOVEL PARA- OR META-TERPHENYLTETRACARBOXYLIC ACID, DIANHYDRIDE THEREOF AND PROCESS FOR PREPARING THE SAME Hitachi Chemical Co., Ltd. (JP) 1991-08-21 EP disclosed
US-4912233-A Para- or meta-terphenyltetracarboxylic acid, dianhydride thereof and process for preparing the same HITACHI CHEMICAL COMPANY, LTD. (JP) 1990-03-27 US disclosed
EP-0247731-A1 Novel para- or meta-terphenyltetracarboxylic acid, dianhydride thereof and process for preparing the same Hitachi Chemical Co., Ltd. (JP) 1987-12-02 EP disclosed