SCHEMBL7899412

SCHEMBL7899412

O=C(C[C@@H](NC(=O)C(F)(F)F)C(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.56
GRN P28799 1/20 0.49
SORT1 Q99523 1/20 0.49
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7907206 1.00 KMO (0.56) KMOGRNSORT1CA1CA2
SCHEMBL7907182 1.00 KMO (0.56) KMOGRNSORT1CA1CA2
SCHEMBL7905593 0.86 KMO (0.46) KMOGRNSORT1SLC6A4SLC6A3
SCHEMBL7899441 0.86 TAS1R3 (0.47) KMOALDH1A1LMNAHTT
SCHEMBL7912394 0.86 TAS1R3 (0.47) KMOALDH1A1LMNAHTT
SCHEMBL7907136 0.83 ERCC5 (0.49) KMOGRNSORT1SLC6A4SLC6A3
SCHEMBL7908710 0.83 ERCC5 (0.49) KMOGRNSORT1SLC6A4SLC6A3
SCHEMBL7908375 0.83 CES2 (0.40) SLC6A3MAPT
SCHEMBL7908401 0.83 CES2 (0.40) SLC6A3MAPT
SCHEMBL7899386 0.83 CES2 (0.40) SLC6A3MAPT

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-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