SCHEMBL7908730

SCHEMBL7908730

O=C(CC(NC(=O)c1ccccc1)C(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.60
SORT1 Q99523 1/20 0.60
KMO O15229 4/20 0.57
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL7907139 1.00 GRN (0.60) GRNSORT1KMOCA1CA2
SCHEMBL8152947 0.84 GRN (0.52) GRNSORT1KMOCA1CA2
SCHEMBL7908744 0.83 KMO (0.60) GRNSORT1KMOKDM4EGAA
SCHEMBL7907227 0.83 KMO (0.60) GRNSORT1KMOKDM4EGAA
SCHEMBL7907186 0.81 KMO (0.57) GRNSORT1KMOKDM4EGAA
SCHEMBL7908245 0.81 KMO (0.57) GRNSORT1KMOKDM4EGAA
SCHEMBL7908690 0.80 KMO (0.56) KMO
SCHEMBL7912399 0.80 KMO (0.56) KMO
SCHEMBL7907206 0.80 KMO (0.56) GRNSORT1KMOCA1CA2
SCHEMBL7899412 0.80 KMO (0.56) GRNSORT1KMOCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931056-A1 N-SUBSTITUTED-2-AMINO-4-PHENYL-4-OXO-BUTANOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITORY ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1999-07-28 EP claimed
WO-1998009938-A1 N-SUBSTITUTED-2-AMINO-4-PHENYL-4-OXO-BUTANOIC ACID DERIVATIVES WITH KYNURENINE-3-HYDROXYLASE INHIBITORY ACTIVITY PHARMACIA & UPJOHN S.P.A. (IT) 1998-03-12 WO claimed
US-6207709-B1 FOR THERAPY AND PROPHYLAXIS OF NEURODEGENERATIVE DISEASES, SUCH AS HUNTINGTON'S CHOREA, ALZHEIMER'S DISEASE, DEMENTIA CAUSED BY AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFARCTUAL DEMENTIA, CEREBRAL ISCHEMIA, CEREBRAL HYPOXIA, EPILEPSY PHARMACIA & UPJOHN S.P.A. (IT) 2001-03-27 US disclosed