SCHEMBL9310653

SCHEMBL9310653

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.58
EPHX2 P34913 4/20 0.47
TP53 P04637 1/20 0.39
MAPK10 P53779 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
ABL1 P00519 1/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
FAAH O00519 1/20 0.38
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL9017543 0.94 DHODH (0.65) DHODHEPHX2TP53MAPK10CYP2C9
SCHEMBL9017564 0.94 DHODH (0.61) DHODHEPHX2TP53RAB9AMAPT
SCHEMBL9017562 0.90 DHODH (0.59) DHODHEPHX2TP53MAPK10CYP2C9
SCHEMBL9017616 0.90 DHODH (0.59) DHODHEPHX2TP53MAPK10CYP2C9
SCHEMBL27242987 0.87 DHODH (0.74) DHODHTP53MAPK10CYP2C9CYP2C19
SCHEMBL25813258 0.87 DHODH (0.74) DHODHTP53MAPK10CYP2C9CYP2C19
SCHEMBL9157076 0.85 DHODH (0.64) DHODHEPHX2TP53RAB9AMAPT
SCHEMBL8614830 0.84 DHODH (0.69) DHODHTP53MAPK10CYP2C9CYP2C19
SCHEMBL9017605 0.83 DHODH (0.61) DHODHEPHX2RAB9AMAPTMAPK1
SCHEMBL9017561 0.83 DHODH (0.61) DHODHEPHX2GAARAB9AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5312830-A Antiinflammatory agents ROUSSEL-UCLAF (FR) 1994-05-17 US disclosed