SCHEMBL9512965

SCHEMBL9512965

Cc1cccc(CO)c1.Cc1ccccc1CO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
IDO1 P14902 2/20 0.42
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
MAP2K4 P45985 1/20 0.39
ENPP2 Q13822 1/20 0.39
TP53 P04637 1/20 0.39
DAO P14920 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
SCHEMBL459194 0.94 GAA (0.41) GAATAAR1IDO1TSHRCYP3A4
SCHEMBL10735 0.84
SCHEMBL4453879 0.83 CXCR4 (0.47) TAAR1IDO1TSHRCYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL28623820 0.82 TAAR1 (0.54) TAAR1IDO1TSHRCYP3A4CYP2C19
SCHEMBL2094961 0.81 TAAR1 (0.48) GAATAAR1IDO1TSHRCYP3A4
SCHEMBL29928074 0.80
SCHEMBL3338 0.80
SCHEMBL8993034 0.79 TAAR1 (0.41) TAAR1IDO1MAP2K4DAO
Dimethylamine SCHEMBL2646042 0.79 TAAR1 (0.50) TAAR1IDO1TSHRMAP2K4ENPP2
SCHEMBL27606043 0.78 ALDH1A1 (0.47) TAAR1IDO1TSHRCYP3A4PDCD1

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-0415809-B1 Polyimide precursor compositions and their use INST FRANCAIS DU PETROLE (FR) 1993-12-01 EP claimed