SCHEMBL7907136

SCHEMBL7907136

O=C(CC(NC(=O)C(F)(F)F)C(=O)O)c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MMEL1 Q495T6 1/20 0.41
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
HPGD P15428 1/20 0.40
C3AR1 Q16581 1/20 0.39
CHRNA1 P02708 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
SCHEMBL7908710 1.00 ERCC5 (0.49) ERCC5FEN1MEN1KMT2AMAPT
SCHEMBL7912396 0.86 MAPT (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7908676 0.86 MAPT (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3851420 0.85 TSHR (0.50) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3816016 0.85 TSHR (0.50) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7899412 0.83 KMO (0.56) MAPTALDH1A1LMNAPKMHTT
SCHEMBL7907182 0.83 KMO (0.56) MAPTALDH1A1LMNAPKMHTT
SCHEMBL7907206 0.83 KMO (0.56) MAPTALDH1A1LMNAPKMHTT
SCHEMBL7908401 0.82 CES2 (0.40) MAPTMAPK1KDM4EGAARAB9A
SCHEMBL7899386 0.82 CES2 (0.40) MAPTMAPK1KDM4EGAARAB9A

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 5 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
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 disclosed
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 disclosed