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
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