SCHEMBL9017570

SCHEMBL9017570

COc1ccc(Oc2ccc(NC(=O)C(C#N)=C(O)C3CC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.61
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 6/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 2/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL9017561 0.90 DHODH (0.61) DHODHHDAC3HDAC1HDAC2HDAC8
SCHEMBL9157076 0.90 DHODH (0.64) DHODHHDAC3HDAC1HDAC2HDAC8
SCHEMBL9017532 0.89 DHODH (0.55) DHODHHDAC3HDAC1HDAC2HDAC8
SCHEMBL9017576 0.88 DHODH (0.69) DHODHHDAC3HDAC1HDAC2HDAC8
SCHEMBL9017564 0.88 DHODH (0.61) DHODHHDAC3HDAC1HDAC2HDAC8
SCHEMBL9017543 0.88 DHODH (0.65) DHODHHDAC3HDAC1HDAC2HDAC8
SCHEMBL9017605 0.88 DHODH (0.61) DHODHMEN1KMT2AMAPTRAB9A
SCHEMBL9017554 0.88 DHODH (0.61) DHODHHDAC3HDAC1HDAC2HDAC8
SCHEMBL9017547 0.88 DHODH (0.61) DHODHMEN1KMT2AMAPTRAB9A
SCHEMBL9017542 0.85 DHODH (0.67) 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 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