SCHEMBL9017598

SCHEMBL9017598

Cc1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)C(C#N)=C(O)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.43
KDR P35968 9/20 0.41
ALDH1A1 P00352 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
BRAF P15056 6/20 0.40
RAF1 P04049 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL8857721 0.88 DHODH (0.49) DHODHALDH1A1MAPT
SCHEMBL9017547 0.83 DHODH (0.61) DHODHALDH1A1MAPT
SCHEMBL9017569 0.83 DHODH (0.54) DHODHKDRALDH1A1BRAFMAPT
SCHEMBL9017556 0.82 DHODH (0.49) DHODHKDRBRAFMAPT
SCHEMBL9017582 0.80 DHODH (0.52) DHODHKDRBRAFMAPT
SCHEMBL9017561 0.77 DHODH (0.61) DHODHALDH1A1MAPT
SCHEMBL9017570 0.74 DHODH (0.61) DHODHALDH1A1MAPT
SCHEMBL9157076 0.74 DHODH (0.64) DHODHALDH1A1MAPT
SCHEMBL9017532 0.74 DHODH (0.55) DHODHALDH1A1MAPT
SCHEMBL9017576 0.73 DHODH (0.69) DHODHALDH1A1RAF1MAPT

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
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
EP-0533573-A2 Derivatives of 3-cyclo alkyl-propen-2-amide, their tautomeres and salts and their use as antiinflammatory agents ROUSSEL UCLAF (FR) 1993-03-24 EP disclosed