SCHEMBL9017576

SCHEMBL9017576

CC(C)(C)c1ccc(Oc2ccc(NC(=O)C(C#N)=C(O)C3CC3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.69
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
BLM P54132 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ENPP3 O14638 3/20 0.43
ENPP1 P22413 3/20 0.43
ENPP2 Q13822 1/20 0.43
RAB9A P51151 3/20 0.42
MAPK14 Q16539 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
RAF1 P04049 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
SCHEMBL9017565 0.90 DHODH (0.86) DHODHENPP3ENPP1ENPP2MAPK14
SCHEMBL9017570 0.88 DHODH (0.61) DHODHMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9017561 0.88 DHODH (0.61) DHODHMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9157076 0.88 DHODH (0.64) DHODHMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9017543 0.86 DHODH (0.65) DHODHMEN1ALDH1A1KMT2ARAB9A
SCHEMBL9017564 0.86 DHODH (0.61) DHODHMEN1ALDH1A1KMT2ARAB9A
SCHEMBL9017547 0.86 DHODH (0.61) DHODHMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9017605 0.86 DHODH (0.61) DHODHMEN1ALDH1A1KMT2ARAB9A
SCHEMBL9017554 0.86 DHODH (0.61) DHODHMEN1ALDH1A1KMT2ABLM
SCHEMBL9017542 0.85 DHODH (0.67) DHODHKMT2AEPHX1EPHX2

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