SCHEMBL2968632

SCHEMBL2968632

CC(CC(=O)O)c1ccc(OCC2(COc3cccc(C(C)(C)C)c3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.44
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
SOD1 P00441 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSA P10619 1/20 0.37

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
SCHEMBL10064534 0.96 FFAR1 (0.43) FFAR1PPARGPPARDFFAR4SOD1
SCHEMBL2957874 0.91 SOD1 (0.38) FFAR1PPARGPPARDSOD1ALDH1A1
SCHEMBL3035594 0.91 FFAR1 (0.46) FFAR1PPARGPPARDFFAR4ALDH1A1
SCHEMBL2918902 0.87 FFAR1 (0.52) FFAR1PPARGPPARDFFAR4SOD1
SCHEMBL2946459 0.86 FFAR1 (0.54) FFAR1FFAR4ALDH1A1TSHR
SCHEMBL2965353 0.86 FFAR1 (0.49) FFAR1PPARDFFAR4ALDH1A1TSHR
SCHEMBL2925885 0.85 FFAR1 (0.53) FFAR1PPARGPPARDFFAR4SOD1
SCHEMBL10078103 0.85 FFAR1 (0.50) FFAR1PPARGPPARDFFAR4SOD1
SCHEMBL232971 0.85 FFAR1 (0.56) FFAR1
SCHEMBL2947118 0.85 FFAR1 (0.48) FFAR1FFAR4ALDH1A1TSHR

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
WO-2012004270-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-12 WO disclosed