SCHEMBL317732

SCHEMBL317732

CCOC(=O)CC(OC)c1ccc(O)cc1.COC(CC(=O)O)c1ccc(OCC2(COc3ccc(C(F)(F)F)nc3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.41
PPARG P37231 1/20 0.41
MRGPRX4 Q96LA9 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
SCHEMBL231413 0.89 FFAR1 (0.42) FFAR1PPARGMRGPRX4
SCHEMBL317962 0.86 FFAR1 (0.45) FFAR1PPARG
SCHEMBL16500085 0.86 FFAR1 (0.43) FFAR1PPARG
SCHEMBL16500092 0.86 FFAR1 (0.47) FFAR1PPARG
SCHEMBL16500102 0.81 FFAR1 (0.50) FFAR1PPARG
SCHEMBL16500076 0.80 FFAR1 (0.40) FFAR1
SCHEMBL2742886 0.79 FFAR1 (0.41) FFAR1PPARG
SCHEMBL3035500 0.79 FFAR1 (0.44) FFAR1PPARGMRGPRX4
SCHEMBL231533 0.75 FFAR1 (0.55) FFAR1
SCHEMBL231550 0.74 FFAR1 (0.47) FFAR1PPARGMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590930-B1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI SA (FR) 2015-02-25 EP disclosed
EP-2590930-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2013-05-15 EP disclosed
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