SCHEMBL9150583

SCHEMBL9150583

NC(Cc1cccc(CCP(=O)(O)O)c1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.58
MAPK1 P28482 1/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
GRIA2 P42262 1/20 0.54
NOS3 P29474 2/20 0.52
NOS1 P29475 2/20 0.52
NOS2 P35228 2/20 0.52
PTPRC P08575 1/20 0.50

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
SCHEMBL9150578 1.00 SLC7A5 (0.58) SLC7A5MAPK1ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL9157628 0.99 SLC7A5 (0.57) SLC7A5MAPK1ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL9155868 0.99 SLC7A5 (0.57) SLC7A5MAPK1ALPIPKMPTGS1
SCHEMBL499205 0.85 MAPK1 (0.66) SLC7A5MAPK1ALPIPKMPTGS1
SCHEMBL6021374 0.85 MAPK1 (0.66) SLC7A5MAPK1ALPIPKMPTGS1
SCHEMBL2314258 0.84 SLC7A5 (0.77) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL9151999 0.84 MAPK1 (0.64) SLC7A5MAPK1ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL9152009 0.84 MAPK1 (0.64) SLC7A5MAPK1ALPIPKMPTGS1
SCHEMBL14028487 0.82 SLC7A5 (0.59) SLC7A5MAPK1ALPIPKMPTGS1
SCHEMBL14945063 0.81 SLC7A5 (0.62) SLC7A5ALPIPKMPTGS1XIAP

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-0318935-B1 Substituted alpha-amino acids having pharmaceutical activity WARNER LAMBERT CO (US) 1995-02-01 EP claimed
US-5175153-A Antiischemic agents or antiepileptic agents WARNER-LAMBERT COMPANY (US) 1992-12-29 US claimed
EP-0318935-A2 Substituted alpha-amino acids having pharmaceutical activity WARNER-LAMBERT COMPANY (US) 1989-06-07 EP claimed