SCHEMBL7912396

SCHEMBL7912396

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
HTT P42858 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 2/20 0.43
ALOX12 P18054 1/20 0.43
ITGB2 P05107 2/20 0.42
ICAM1 P05362 2/20 0.42
ITGAL P20701 2/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 2/20 0.40

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
SCHEMBL7908676 1.00 MAPT (0.43) MAPTHTTMEN1KMT2ALMNA
SCHEMBL3851420 0.86 TSHR (0.50) MAPTHTTMEN1KMT2ALMNA
SCHEMBL3816016 0.86 TSHR (0.50) MAPTHTTMEN1KMT2ALMNA
SCHEMBL7907136 0.86 ERCC5 (0.49) MAPTHTTMEN1KMT2ALMNA
SCHEMBL7908710 0.86 ERCC5 (0.49) MAPTHTTMEN1KMT2ALMNA
SCHEMBL7799493 0.83 PLOD2 (0.51) MAPTHTTMEN1KMT2ALMNA
SCHEMBL7799498 0.83 PLOD2 (0.51) MAPTHTTMEN1KMT2ALMNA
SCHEMBL7908375 0.83 CES2 (0.40) MAPTKDM4EITGB2ICAM1ITGAL
SCHEMBL7899386 0.83 CES2 (0.40) MAPTKDM4EITGB2ICAM1ITGAL
SCHEMBL7908401 0.83 CES2 (0.40) MAPTKDM4EITGB2ICAM1ITGAL

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