SCHEMBL9502837

SCHEMBL9502837

Cc1ccc(-c2nc3ccc(C)cc3c(C(=O)O)c2O)cc1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 18/20 0.85
PDE10A Q9Y233 1/20 0.57
AURKA O14965 1/20 0.57
KDR P35968 1/20 0.57
AURKB Q96GD4 1/20 0.57
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL9505839 0.93 DHODH (0.79) DHODHPDE10A
SCHEMBL10582434 0.92 DHODH (1.00) DHODHPDE10A
SCHEMBL10582007 0.87 DHODH (0.77) DHODHPDE10A
SCHEMBL9505334 0.87 DHODH (0.77) DHODHPDE10A
SCHEMBL7686140 0.83 DHODH (0.79) DHODHPDE10AKDM4EALDH1A1
SCHEMBL11238594 0.81 DHODH (0.62) DHODHPDE10AKDM4EALDH1A1
SCHEMBL9501990 0.81 DHODH (0.84) DHODHPDE10AAURKAKDRAURKB
SCHEMBL17594005 0.79 DHODH (0.94) DHODHPDE10A
SCHEMBL9505820 0.79 DHODH (0.63) DHODHPDE10A
SCHEMBL10580105 0.79 DHODH (0.89) DHODHPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0305952-B1 SUBSTITUTED 2-PHENYL-4-QUINOLINE-CARBOXYLIC ACIDS AMERICAN CYANAMID COMPANY (US) 1993-06-02 EP disclosed
EP-0305952-A1 Substituted 2-phenyl-4-quinoline-carboxylic acids AMERICAN CYANAMID COMPANY (US) 1989-03-08 EP disclosed