SCHEMBL9017532

SCHEMBL9017532

COc1ccc(Oc2ccc(NC(=O)C(C#N)=C(O)C3CC3)cc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.55
MTNR1B P49286 3/20 0.47
MTNR1A P48039 2/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
KLK7 P49862 1/20 0.40
KLK14 Q9P0G3 1/20 0.40
KLK5 Q9Y337 1/20 0.40

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
SCHEMBL9017570 0.89 DHODH (0.61) DHODHMTNR1BMTNR1AMAPTSMN1; SMN2
SCHEMBL9017561 0.84 DHODH (0.61) DHODHMTNR1BMTNR1AMAPTSMN1; SMN2
SCHEMBL9157076 0.84 DHODH (0.64) DHODHMTNR1BMTNR1AMAPTSMN1; SMN2
SCHEMBL9017576 0.82 DHODH (0.69) DHODHMTNR1BMTNR1AMAPTSMN1; SMN2
SCHEMBL9017569 0.82 DHODH (0.54) DHODHMTNR1BMTNR1AMAPTPOLB
SCHEMBL9017543 0.82 DHODH (0.65) DHODHMAPTGAAHDAC3HDAC1
SCHEMBL9017547 0.82 DHODH (0.61) DHODHMAPTSMN1; SMN2POLBCYP2C19
SCHEMBL9017564 0.82 DHODH (0.61) DHODHMTNR1BMTNR1AMAPTHDAC3
SCHEMBL9017605 0.82 DHODH (0.61) DHODHMAPTPOLBCA12CA1
SCHEMBL9017554 0.82 DHODH (0.61) DHODHMTNR1BMTNR1AMAPTGAA

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