SCHEMBL10064428

SCHEMBL10064428

COC(=O)CC(C)c1ccc(OCC2(COc3ccc(C(F)(F)F)cc3Cl)COC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.41
PPARD Q03181 4/20 0.40
PPARA Q07869 3/20 0.40
FFAR1 O14842 2/20 0.39
PPARG P37231 2/20 0.39
LMNA P02545 1/20 0.39

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) MRGPRX4PPARDPPARAFFAR1PPARG
SCHEMBL2742880 0.88 FFAR1 (0.49) PPARDPPARAFFAR1
SCHEMBL10064429 0.83 FFAR1 (0.50) MRGPRX4PPARDPPARAFFAR1PPARG
SCHEMBL2890794 0.81 MRGPRX4 (0.46) MRGPRX4PPARDPPARAFFAR1PPARG
SCHEMBL231275 0.81 FFAR1 (0.59) FFAR1
SCHEMBL231516 0.75 MRGPRX4 (0.47) MRGPRX4
SCHEMBL10078102 0.74 PPARA (0.60) MRGPRX4PPARDPPARAFFAR1PPARG
SCHEMBL10077179 0.73 FFAR1 (0.51) MRGPRX4PPARDPPARAFFAR1
SCHEMBL230898 0.73 FFAR1 (0.61) FFAR1
SCHEMBL2890248 0.72 FFAR1 (0.53) MRGPRX4PPARDPPARAFFAR1

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