SCHEMBL9254089

SCHEMBL9254089

COCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(O)nc2ncnn12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
PPARG P37231 2/20 0.38
MBOAT4 Q96T53 2/20 0.37
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA2 P47869 1/20 0.37
CYP19A1 P11511 2/20 0.36
EGLN2 Q96KS0 1/20 0.36
ENPP1 P22413 4/20 0.35
APLNR P35414 1/20 0.34
SLC33A1 O00400 1/20 0.34
ALOX5AP P20292 1/20 0.33

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
SCHEMBL9253827 0.90 PPARG (0.41) ESR2EGLN1PPARGMBOAT4FFAR1
SCHEMBL9254569 0.89 ESR2 (0.40) ESR2EGLN1PPARGMBOAT4FFAR1
SCHEMBL9256116 0.89 EGLN1 (0.46) ESR2EGLN1PPARGMBOAT4FFAR1
SCHEMBL7311768 0.88 PPARG (0.46) PPARGENPP1SLC33A1
SCHEMBL9256663 0.86 PPARG (0.43) PPARGAPLNRSLC33A1
SCHEMBL9253540 0.85 USP2 (0.42) ESR2PPARGMBOAT4GABRA1GABRG2
SCHEMBL9250123 0.85 ESR2 (0.39) ESR2EGLN1PPARGMBOAT4FFAR1
Diethylamine SCHEMBL9256272 0.85 PPARG (0.44) PPARGENPP1SLC33A1
SCHEMBL9256561 0.80 SLC33A1 (0.37) SLC33A1
SCHEMBL9249469 0.80 ENPP1 (0.47) MBOAT4GABRA1GABRG2GABRB3GABRA2

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
US-5387747-A Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis LABORATOIRES UPSA (FR) 1995-02-07 US disclosed