SCHEMBL934427

SCHEMBL934427

CCCCC(=O)NCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.66
FAAH O00519 3/20 0.58
MAPK14 Q16539 1/20 0.56
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
GLS O94925 1/20 0.52
HPGD P15428 1/20 0.52
CNR1 P21554 1/20 0.51

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
SCHEMBL17335666 0.96 EPHX2 (0.72) EPHX2FAAHMAPK14CNR1
SCHEMBL3638883 0.92 EPHX2 (0.58) EPHX2FAAHMAPK14ROCK2ROCK1
SCHEMBL934551 0.87 GLS (0.61) EPHX2MAPK14ROCK2ROCK1GLS
SCHEMBL7366428 0.86 EPHX2 (0.58) EPHX2FAAHMAPK14ROCK2ROCK1
SCHEMBL934356 0.84 HPGD (0.65) EPHX2HPGDCNR1
SCHEMBL934606 0.84 EPHX2 (0.90) EPHX2FAAHCNR1
SCHEMBL30229536 0.83 MAPK14 (0.54) EPHX2MAPK14ROCK2ROCK1GLS
SCHEMBL5724446 0.81 MAPK14 (0.63) MAPK14ROCK2ROCK1GLSCNR1
SCHEMBL14684325 0.81 MAPK14 (0.59) MAPK14ROCK2ROCK1GLSCNR1
SCHEMBL26051588 0.80 MAPK14 (0.53) EPHX2MAPK14ROCK2ROCK1GLS

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-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed