SCHEMBL9017547

SCHEMBL9017547

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.61
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
G6PD P11413 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 4/20 0.44
EPHX2 P34913 2/20 0.44
ALOX12 P18054 2/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PNLIP P16233 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
S1PR5 Q9H228 1/20 0.41

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
SCHEMBL9157076 0.90 DHODH (0.64) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL9017564 0.88 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL9017561 0.88 DHODH (0.61) DHODHKMT2AMEN1ALDH1A1LMNA
SCHEMBL9017605 0.88 DHODH (0.61) DHODHKMT2AMEN1ALDH1A1LMNA
SCHEMBL9017554 0.88 DHODH (0.61) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL9017543 0.88 DHODH (0.65) DHODHKMT2AMEN1ALDH1A1LMNA
SCHEMBL9017570 0.88 DHODH (0.61) DHODHKMT2AMEN1ALDH1A1MAPT
SCHEMBL8616025 0.86 DHODH (0.62) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL8619026 0.86 DHODH (0.62) DHODHKMT2AMEN1G6PDCACNA1B
SCHEMBL9017556 0.86 DHODH (0.49) DHODHKMT2AMEN1G6PDCACNA1B

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 9 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 claimed
US-5312830-A Antiinflammatory agents ROUSSEL-UCLAF (FR) 1994-05-17 US claimed
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 claimed
JP-5230008-A None JP disclosed
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
JP-H05230008-A 3-CYCLOALKYL-2-PROPENAMIDE DERIVATIVE ROUSSEL UCLAF 1993-09-07 JP 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