SCHEMBL9017564

SCHEMBL9017564

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.61
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
IL18 Q14116 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
EPHX2 P34913 2/20 0.39
FNTA P49354 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
SCHEMBL9310653 0.94 DHODH (0.58) DHODHMAPTRAB9APOLBMEN1
SCHEMBL9157076 0.90 DHODH (0.64) DHODHMAPTRAB9APOLBMEN1
SCHEMBL9017554 0.88 DHODH (0.61) DHODHMAPTRAB9APOLBMEN1
SCHEMBL9017561 0.88 DHODH (0.61) DHODHMAPTRAB9APOLBMEN1
SCHEMBL9017570 0.88 DHODH (0.61) DHODHMAPTRAB9APOLBMEN1
SCHEMBL9017547 0.88 DHODH (0.61) DHODHMAPTRAB9APOLBMEN1
SCHEMBL9017543 0.88 DHODH (0.65) DHODHMAPTRAB9APOLBMEN1
SCHEMBL9017605 0.88 DHODH (0.61) DHODHMAPTRAB9APOLBMEN1
SCHEMBL9017576 0.86 DHODH (0.69) DHODHMAPTRAB9AMEN1KMT2A
SCHEMBL9017542 0.85 DHODH (0.67) DHODHKMT2AEPHX2EPHX1

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 7 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
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