SCHEMBL10064429

SCHEMBL10064429

CC(CC(=O)O)c1ccc(OCC2(COc3ccc(C(F)(F)F)cc3Cl)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.50
PPARD Q03181 4/20 0.47
PPARA Q07869 2/20 0.44
PPARG P37231 2/20 0.43
MRGPRX4 Q96LA9 6/20 0.42
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL2974948 0.92 FFAR1 (0.48) FFAR1PPARDPPARAPPARGMRGPRX4
SCHEMBL10064988 0.88 FFAR1 (0.52) FFAR1PPARDPPARGFFAR4
SCHEMBL3036390 0.87 FFAR1 (0.53) FFAR1PPARDPPARAPPARGFFAR4
SCHEMBL230898 0.86 FFAR1 (0.61) FFAR1
SCHEMBL10078102 0.85 PPARA (0.60) FFAR1PPARDPPARAPPARGMRGPRX4
SCHEMBL10064688 0.85 FFAR1 (0.46) FFAR1PPARDPPARGFFAR4
SCHEMBL3035594 0.84 FFAR1 (0.46) FFAR1PPARDPPARAPPARGMRGPRX4
SCHEMBL3013876 0.84 FFAR1 (0.50) FFAR1PPARDPPARGFFAR4
SCHEMBL10064428 0.83 MRGPRX4 (0.41) FFAR1PPARDPPARAPPARGMRGPRX4
SCHEMBL2890248 0.83 FFAR1 (0.53) FFAR1PPARDPPARAMRGPRX4FFAR4

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