SCHEMBL7974184

SCHEMBL7974184

CCC(Oc1cccc2c1OC(SCc1ccccc1)c1sc(-c3ccccc3-c3cccc4ccccc34)nc1-2)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.41
PPARA Q07869 6/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.31
PPARD Q03181 1/20 0.30

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
SCHEMBL7974190 0.89 PPARA (0.38) PPARGPPARAPTGDR2PPARD
SCHEMBL7521979 0.85 ALDH1A1 (0.40) PTGDR2
SCHEMBL7521989 0.73 S1PR5 (0.37) PPARD
SCHEMBL7527054 0.73 PPARD (0.38) PPARGPPARAPTGDR2PPARD
SCHEMBL7523863 0.71 TP53 (0.44) PTGDR2PPARD
SCHEMBL8935882 0.66 PPARG (0.67) PPARGPPARA
SCHEMBL8821208 0.66 PPARG (0.67) PPARGPPARA
SCHEMBL7974327 0.63 PPARA (0.42) PPARGPPARAPTGDR2PPARD
SCHEMBL7962753 0.62 PPARA (0.38) PPARGPPARAPPARD
SCHEMBL10659324 0.61 PPARA (0.52) PPARGPPARAPPARD

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-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed