SCHEMBL14980205

SCHEMBL14980205

C=C[C@@H](CC(=O)OC)c1ccc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 12/20 0.63
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ PPARD Q03181 3/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ PPARG P37231 1/20 0.46
▸ GPR34 Q9UPC5 1/20 0.45
▸ ADAMTS4 O75173 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ ADAMTS5 Q9UNA0 1/20 0.45
▸ MAOB P27338 1/20 0.44
▸ AGXT P21549 1/20 0.44

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
SCHEMBL12021118 0.92 FFAR1 (0.64) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL14273217 0.91 FFAR1 (0.63) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL12021109 0.90 FFAR1 (0.62) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL16326316 0.90 FFAR1 (0.75) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL12348753 0.89 FFAR1 (0.61) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL13318210 0.85 FFAR1 (0.68) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL12020986 0.85 FFAR1 (0.68) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL13350442 0.85 FFAR1 (0.65) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL14286071 0.84 FFAR1 (0.62) FFAR1MRGPRX4PPARDPPARAPPARG
SCHEMBL12021108 0.84 FFAR1 (0.64) FFAR1MRGPRX4PPARDPPARAPPARG

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-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 — — US disclosed
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