SCHEMBL4760067

SCHEMBL4760067

CCCCCC[C@H]1C/C=C\CCCCCCCC(=O)O1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
PPARG P37231 2/20 0.44
GRM2 Q14416 11/20 0.38
ALDH1A1 P00352 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.35
PRKCA P17252 1/20 0.35

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
SCHEMBL18263241 1.00 CYP1A2 (0.56) CYP1A2PPARGGRM2ALDH1A1SIRT2
SCHEMBL2947711 1.00 CYP1A2 (0.56) CYP1A2PPARGGRM2ALDH1A1SIRT2
SCHEMBL18263240 1.00 CYP1A2 (0.56) CYP1A2PPARGGRM2ALDH1A1SIRT2
SCHEMBL13652118 1.00 CYP1A2 (0.56) CYP1A2PPARGGRM2ALDH1A1SIRT2
SCHEMBL13652119 0.90 CYP1A2 (0.46) CYP1A2PPARGGRM2SIRT2PRKCA
SCHEMBL24729501 0.85 CYP1A2 (0.37) CYP1A2
SCHEMBL29942062 0.85 CYP1A2 (0.37) CYP1A2
SCHEMBL24729436 0.85 CYP1A2 (0.37) CYP1A2
SCHEMBL24668270 0.83 CYP1A2 (0.38) CYP1A2
SCHEMBL25323563 0.80 CYP1A2 (0.57) CYP1A2PPARGGRM2ALDH1A1SIRT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173765-B2 Polymers, uses and methods of manufacture thereof VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2012-05-08 US disclosed
US-20090082542-A1 NOVEL POLYMERS, USES AND METHODS OF MANUFACTURE THEREOF UNIVERSITE DE MONTREAL (CA) 2009-03-26 US disclosed