SCHEMBL934008

SCHEMBL934008

NC(=O)CCCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.49
EPHX2 P34913 3/20 0.46
LTA4H P09960 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
PPARA Q07869 1/20 0.45
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MAPK8 P45983 1/20 0.45
DAO P14920 1/20 0.44
GRIN2B Q13224 2/20 0.43
DHODH Q02127 1/20 0.43
ALOX5 P09917 1/20 0.43
FAAH O00519 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
SLC6A5 Q9Y345 1/20 0.42

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
SCHEMBL933618 0.95 EPHX1 (0.51) EPHX1EPHX2LTA4HGPR84PPARA
SCHEMBL934358 0.94 FAAH (0.51) EPHX1EPHX2LTA4HGPR84PPARA
SCHEMBL5723863 0.92 EPHX1 (0.50) EPHX1EPHX2LTA4HGPR84FFAR1
SCHEMBL22721288 0.87 FFAR1 (0.52) EPHX1EPHX2LTA4HGPR84PPARA
SCHEMBL24264814 0.87 HDAC3 (0.55) EPHX2LTA4HPPARAFFAR1FFAR4
SCHEMBL934552 0.81 CHRM2 (0.51) EPHX1PPARAFFAR1FFAR4DAO
SCHEMBL328546 0.81 MAPK8 (0.55) EPHX1EPHX2LTA4HMAPK8
SCHEMBL28018674 0.81 F2RL1 (0.51) EPHX1EPHX2LTA4HGPR84PPARA
SCHEMBL27680835 0.80 EPHX1 (0.44) EPHX1EPHX2LTA4HGPR84PPARA
SCHEMBL10972858 0.80 FAAH (0.54) EPHX1EPHX2LTA4HGPR84PPARA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN claimed
WO-2011037833-A2 NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-03-31 WO disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN disclosed