SCHEMBL9250318

SCHEMBL9250318

CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(C(S)C(=O)O)nc2ncnn12

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 19/20 0.42
PPARG P37231 1/20 0.40

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
SCHEMBL9252860 0.85 PPARG (0.44) SLC33A1PPARG
SCHEMBL7311768 0.85 PPARG (0.46) SLC33A1PPARG
SCHEMBL9250470 0.84 SLC33A1 (0.45) SLC33A1PPARG
SCHEMBL9250322 0.84 SLC33A1 (0.40) SLC33A1PPARG
SCHEMBL9251529 0.83 PPARG (0.44) SLC33A1PPARG
SCHEMBL9253652 0.83 PPARG (0.46) SLC33A1PPARG
SCHEMBL9250507 0.83 PPARG (0.40) SLC33A1PPARG
SCHEMBL9250489 0.83 PPARG (0.43) SLC33A1PPARG
Diethylamine SCHEMBL9256272 0.82 PPARG (0.44) SLC33A1PPARG
SCHEMBL9250140 0.82 PPARG (0.45) SLC33A1PPARG

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