SCHEMBL9017616

SCHEMBL9017616

N#CC(C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1)=C(O)C1CCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.59
EPHX2 P34913 3/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
ENPP3 O14638 3/20 0.43
ENPP1 P22413 2/20 0.43
ENPP2 Q13822 2/20 0.43
TP53 P04637 1/20 0.41
MAPK10 P53779 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 2/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 2/20 0.39
FAAH O00519 1/20 0.39
FNTA P49354 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
SCHEMBL9017562 0.98 DHODH (0.59) DHODHEPHX2ALDH1A1MAPTENPP3
SCHEMBL9017543 0.95 DHODH (0.65) DHODHEPHX2ALDH1A1MAPTTP53
SCHEMBL9310653 0.90 DHODH (0.58) DHODHEPHX2ALDH1A1MAPTTP53
SCHEMBL27242987 0.88 DHODH (0.74) DHODHALDH1A1TP53MAPK10CYP1A2
SCHEMBL25813258 0.88 DHODH (0.74) DHODHALDH1A1TP53MAPK10CYP1A2
SCHEMBL9157076 0.85 DHODH (0.64) DHODHEPHX2ALDH1A1MAPTTP53
SCHEMBL8614830 0.84 DHODH (0.69) DHODHALDH1A1TP53MAPK10CYP1A2
SCHEMBL9017561 0.83 DHODH (0.61) DHODHEPHX2ALDH1A1MAPTGAA
SCHEMBL9017605 0.83 DHODH (0.61) DHODHEPHX2ALDH1A1MAPTRAB9A
SCHEMBL9017564 0.83 DHODH (0.61) DHODHEPHX2ALDH1A1MAPTTP53

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