SCHEMBL9064883

SCHEMBL9064883

N[C@@H](C[C@@H](O)c1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.70
GRM2 Q14416 2/20 0.62
GRM3 Q14832 2/20 0.62
SLC1A2 P43004 2/20 0.53
SLC1A1 P43005 2/20 0.53
SLC1A3 P43003 1/20 0.53
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
BCAT2 O15382 1/20 0.50
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.48
GRIK1 P39086 1/20 0.47
AOC3 Q16853 3/20 0.47

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
SCHEMBL9065025 1.00 KYNU (0.70) KYNUGRM2GRM3SLC1A2SLC1A1
SCHEMBL3581364 1.00 KYNU (0.70) KYNUGRM2GRM3SLC1A2SLC1A1
SCHEMBL9065063 1.00 KYNU (0.70) KYNUGRM2GRM3SLC1A2SLC1A1
SCHEMBL5282418 0.83 GRM2 (0.79) KYNUGRM2GRM3SLC1A2SLC1A1
SCHEMBL23265574 0.83 KYNU (0.55) KYNUGRM2GRM3SLC1A2SLC1A1
SCHEMBL617705 0.83 KYNU (1.00) KYNUGRM2GRM3LMNA
SCHEMBL5286288 0.80 GRM2 (0.62) KYNUGRM2GRM3SLC1A2SLC1A1
SCHEMBL6448129 0.80 GRM2 (0.62) KYNUGRM2GRM3SLC1A2SLC1A1
SCHEMBL27564208 0.79 LMNA (0.52) KYNUBCAT2LMNAMAPK1AOC3
SCHEMBL27564209 0.79 LMNA (0.52) KYNUBCAT2LMNAMAPK1AOC3

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
US-5516936-A TREATMENT OF NEUROLOGICAL DISORDERS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1996-05-14 US disclosed
US-5442104-A Neurological disorders UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1995-08-15 US disclosed
EP-0581907-A1 INHIBITORS OF KYNURENINASE THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1994-02-09 EP disclosed
US-5254725-A Inhibitors of kynureninase UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1993-10-19 US disclosed
WO-1992018003-A1 INHIBITORS OF KYNURENINASE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-10-29 WO disclosed