SCHEMBL9017554

SCHEMBL9017554

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.61
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 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
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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) DHODHALDH1A1MAPTRAB9AMEN1
SCHEMBL9017547 0.88 DHODH (0.61) DHODHALDH1A1MAPTRAB9AMEN1
SCHEMBL9017543 0.88 DHODH (0.65) DHODHALDH1A1MAPTRAB9AMEN1
SCHEMBL9017570 0.88 DHODH (0.61) DHODHALDH1A1MAPTRAB9AMEN1
SCHEMBL9017605 0.88 DHODH (0.61) DHODHALDH1A1MAPTRAB9AMEN1
SCHEMBL9017561 0.88 DHODH (0.61) DHODHALDH1A1MAPTRAB9AMEN1
SCHEMBL9017564 0.88 DHODH (0.61) DHODHALDH1A1MAPTRAB9AMEN1
SCHEMBL9017576 0.86 DHODH (0.69) DHODHALDH1A1MAPTRAB9AMEN1
SCHEMBL9017565 0.85 DHODH (0.86) DHODHFNTAFNTBEPHX2
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 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