SCHEMBL3013876

SCHEMBL3013876

CC(CC(=O)O)c1ccc(OCC2(COc3ccc(C(F)(F)F)cc3)CCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.50
PPARG P37231 1/20 0.50
FFAR4 Q5NUL3 1/20 0.47
PPARD Q03181 1/20 0.46
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
EEF2K O00418 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 0.95 FFAR1 (0.52) FFAR1PPARGFFAR4PPARDALDH1A1
SCHEMBL10064688 0.88 FFAR1 (0.46) FFAR1PPARGFFAR4PPARDALDH1A1
SCHEMBL10064604 0.87 FFAR1 (0.51) FFAR1FFAR4ALDH1A1TSHR
SCHEMBL2944400 0.85 FFAR1 (0.43) FFAR1PPARGFFAR4PPARD
SCHEMBL3035594 0.85 FFAR1 (0.46) FFAR1PPARGFFAR4PPARDALDH1A1
SCHEMBL231403 0.84 FFAR1 (0.69) FFAR1
SCHEMBL10064429 0.84 FFAR1 (0.50) FFAR1PPARGFFAR4PPARD
SCHEMBL3012667 0.82 FFAR1 (0.48) FFAR1FFAR4ALDH1A1TSHR
SCHEMBL10064534 0.82 FFAR1 (0.43) FFAR1PPARGFFAR4PPARDALDH1A1
SCHEMBL2912655 0.82 FFAR1 (0.54) FFAR1PPARGFFAR4PPARDALDH1A1

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