SCHEMBL2944400

SCHEMBL2944400

CC(CC(=O)O)c1ccc(OCC2(COc3ccc(C(F)(F)F)cn3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.43
PPARG P37231 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
PPARD Q03181 1/20 0.42
LMNA P02545 1/20 0.40
LIPE Q05469 7/20 0.40
BCHE P06276 1/20 0.39
ADAMTS4 O75173 1/20 0.39
SCN9A Q15858 1/20 0.39
RAB9A P51151 1/20 0.39
MRGPRX4 Q96LA9 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
SCHEMBL10064988 0.90 FFAR1 (0.52) FFAR1PPARGFFAR4PPARD
SCHEMBL231550 0.89 FFAR1 (0.47) FFAR1PPARGPPARDLMNALIPE
SCHEMBL231420 0.87 FFAR1 (0.61) FFAR1
SCHEMBL3013876 0.85 FFAR1 (0.50) FFAR1PPARGFFAR4PPARD
SCHEMBL10064688 0.84 FFAR1 (0.46) FFAR1PPARGFFAR4PPARDSCN9A
SCHEMBL3035500 0.82 FFAR1 (0.44) FFAR1PPARGFFAR4PPARDADAMTS4
SCHEMBL3035594 0.82 FFAR1 (0.46) FFAR1PPARGFFAR4PPARDMRGPRX4
SCHEMBL10064429 0.80 FFAR1 (0.50) FFAR1PPARGFFAR4PPARDMRGPRX4
SCHEMBL317962 0.80 FFAR1 (0.45) FFAR1PPARGPPARDLMNASCN9A
SCHEMBL10064434 0.80 FFAR1 (0.45) FFAR1FFAR4RAB9A

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