SCHEMBL9505833

SCHEMBL9505833

CC(=O)Oc1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc2c1OC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.50
TACR3 P29371 7/20 0.47
PDE10A Q9Y233 2/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL9502835 0.86 POLB (0.49) DHODHALDH1A1MAPT
SCHEMBL9502807 0.84 DHODH (0.64) DHODHTACR3PDE10ATSHRLMNA
SCHEMBL8794990 0.82 DHODH (0.51) DHODHTACR3PDE10ATSHRLMNA
SCHEMBL27583476 0.82 PDE10A (0.60) DHODHTACR3PDE10ATSHRLMNA
SCHEMBL5498214 0.81 PDE10A (0.62) DHODHTACR3PDE10ATSHRLMNA
SCHEMBL18075813 0.80 PDE10A (0.61) DHODHTACR3PDE10ATSHRLMNA
SCHEMBL5497084 0.79 DHODH (0.60) DHODHTACR3PDE10ATSHRLMNA
SCHEMBL27563380 0.76 PDE10A (0.44) DHODHTACR3PDE10ATSHRLMNA
SCHEMBL27704347 0.75 PDE10A (0.43) DHODHTACR3PDE10ATSHRLMNA
SCHEMBL377269 0.75 PDE10A (0.53) PDE10ALMNAALDH1A1MAPT

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
EP-0305952-B1 SUBSTITUTED 2-PHENYL-4-QUINOLINE-CARBOXYLIC ACIDS AMERICAN CYANAMID COMPANY (US) 1993-06-02 EP claimed