SCHEMBL9017542

SCHEMBL9017542

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

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.67
EPHX2 P34913 11/20 0.50
FAAH O00519 2/20 0.50
EPHX1 P07099 2/20 0.46
BRAF P15056 1/20 0.45
KDR P35968 1/20 0.45
KMT2A Q03164 1/20 0.43
LIPE Q05469 1/20 0.43

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
SCHEMBL9017565 0.89 DHODH (0.86) DHODHEPHX2BRAFKDR
SCHEMBL9017543 0.87 DHODH (0.65) DHODHEPHX2FAAHKMT2A
SCHEMBL9157076 0.87 DHODH (0.64) DHODHEPHX2EPHX1KMT2A
SCHEMBL9017576 0.85 DHODH (0.69) DHODHEPHX2EPHX1KMT2A
SCHEMBL9017547 0.85 DHODH (0.61) DHODHEPHX2FAAHKMT2A
SCHEMBL9017561 0.85 DHODH (0.61) DHODHEPHX2KMT2A
SCHEMBL9017564 0.85 DHODH (0.61) DHODHEPHX2EPHX1KMT2A
SCHEMBL9017554 0.85 DHODH (0.61) DHODHEPHX2EPHX1KMT2A
SCHEMBL9017605 0.85 DHODH (0.61) DHODHEPHX2EPHX1BRAFKDR
SCHEMBL9017570 0.85 DHODH (0.61) DHODHKMT2A

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