SCHEMBL17865400

SCHEMBL17865400

O=C(c1ccc(CCOc2cccc(OC(F)(F)F)c2)cc1)C(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
FFAR1 O14842 2/20 0.43
MAPK14 Q16539 1/20 0.43
CES2 O00748 1/20 0.43
LMNA P02545 1/20 0.43
CES1 P23141 1/20 0.43
GPR139 Q6DWJ6 1/20 0.41
SLC13A5 Q86YT5 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
BCL2 P10415 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
SCHEMBL17865399 0.96 PPARG (0.46) PPARGTRPM8FFAR1MAPK14CES2
SCHEMBL17865393 0.84 MRGPRX4 (0.51) PPARGFFAR1MAPK14SLC13A5PTGER4
SCHEMBL17865389 0.79 MRGPRX4 (0.53) PPARGFFAR1MAPK14SIRT2
SCHEMBL16340046 0.78 CES2 (0.61) CES2LMNACES1
SCHEMBL17865384 0.75 ROCK2 (0.49) MAPK14LMNAGPR139
SCHEMBL17865391 0.73 MAOB (0.47) FFAR1SLC13A5SIRT2
SCHEMBL8027218 0.73 CES2 (0.61) CES2LMNACES1
SCHEMBL31466591 0.70 FFAR4 (0.53) FFAR1
SCHEMBL16028149 0.70 FFAR4 (0.53) FFAR1
Benzoin SCHEMBL7745156 0.70 LMNA (0.66) CES2LMNACES1

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
EP-3037408-A1 HARMFUL ORGANISM CONTROL AGENT Ishihara Sangyo Kaisha, Ltd. (JP) 2016-06-29 EP disclosed