SCHEMBL9017565

SCHEMBL9017565

N#CC(C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)=C(O)C1CC1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.86
EPHX2 P34913 3/20 0.47
BRAF P15056 6/20 0.46
KDR P35968 6/20 0.46
ENPP3 O14638 2/20 0.43
ENPP2 Q13822 2/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
ENPP1 P22413 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
MAPK14 Q16539 1/20 0.42
TNNI3K Q59H18 1/20 0.42
DPP4 P27487 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
SCHEMBL18120682 0.93 DHODH (1.00) DHODHEPHX2DPP4
SCHEMBL8857884 0.93 DHODH (1.00) DHODHEPHX2DPP4
SCHEMBL9017576 0.90 DHODH (0.69) DHODHEPHX2ENPP3ENPP2ENPP1
SCHEMBL9017542 0.89 DHODH (0.67) DHODHEPHX2BRAFKDR
SCHEMBL9017543 0.87 DHODH (0.65) DHODHEPHX2FNTAFNTB
SCHEMBL9157076 0.87 DHODH (0.64) DHODHEPHX2FNTAFNTB
SCHEMBL9017605 0.85 DHODH (0.61) DHODHEPHX2BRAFKDRFNTA
SCHEMBL9017564 0.85 DHODH (0.61) DHODHEPHX2FNTAFNTB
SCHEMBL9017561 0.85 DHODH (0.61) DHODHEPHX2FNTAFNTB
SCHEMBL9017547 0.85 DHODH (0.61) DHODHEPHX2FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533573-B1 Derivatives of 3-cyclo alkyl-propen-2-amide, their tautomeres and salts and their use as antiinflammatory agents ROUSSEL UCLAF (FR) 1996-12-04 EP disclosed
US-5389652-A Antiinflammatory agent ROUSSEL-UCLAF (FR) 1995-02-14 US disclosed
US-5312830-A Antiinflammatory agents ROUSSEL-UCLAF (FR) 1994-05-17 US disclosed