SCHEMBL8129688

SCHEMBL8129688

CC(C)(C)OC(=O)C(Cc1ccccc1)C[C@H](N)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 4/20 0.66
▸ SLC1A3 P43003 2/20 0.66
▸ SLC1A2 P43004 1/20 0.66
▸ SLC7A5 Q01650 2/20 0.53
▸ ALPI P09923 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ XIAP P98170 1/20 0.53
▸ GRIK1 P39086 1/20 0.52
▸ ANPEP P15144 1/20 0.49
▸ RNPEP Q9H4A4 1/20 0.49
▸ DNPEP Q9ULA0 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ GRM2 Q14416 2/20 0.47
▸ GRM3 Q14832 2/20 0.47
▸ ITGA4 P13612 1/20 0.44
▸ ITGB7 P26010 1/20 0.44
▸ SLC15A1 P46059 1/20 0.43

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
SCHEMBL27626877 1.00 SLC1A1 (0.66) SLC1A1SLC1A3SLC1A2SLC7A5ALPI
SCHEMBL9316751 0.90 SLC1A1 (0.59) SLC1A1SLC1A3SLC1A2SLC7A5ALPI
SCHEMBL9316242 0.90 SLC1A1 (0.59) SLC1A1SLC1A3SLC1A2SLC7A5ALPI
SCHEMBL27647034 0.88 SLC1A1 (0.50) SLC1A1SLC1A3SLC1A2SLC7A5ALPI
Hydrochloric Acid SCHEMBL8129682 0.88 SLC1A1 (0.64) SLC1A1SLC1A3SLC1A2SLC7A5ALPI
SCHEMBL27282304 0.88 SLC1A3 (0.52) SLC1A1SLC1A3SLC1A2SLC7A5ALPI
SCHEMBL4304049 0.84 SLC1A1 (0.71) SLC1A1SLC1A3SLC1A2SLC7A5ALPI
SCHEMBL12656179 0.83 LTA4H (0.60) SLC1A1SLC1A3SLC1A2
SCHEMBL9316248 0.83 SLC1A1 (0.50) SLC1A1SLC1A3SLC1A2SLC7A5ALPI
SCHEMBL9316759 0.83 SLC1A1 (0.50) SLC1A1SLC1A3SLC1A2SLC7A5ALPI

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667859-B1 MOLECULE LABELLING USING 2-HYDRANINOPYRIDINE DERIVATIVES ANORMED INC (CA) 2000-08-23 — — EP disclosed
US-5679778-A FOR FORMING CONJUGATES WITH MACROMOLECULES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1997-10-21 — — US disclosed
EP-0667859-A1 MOLECULE LABELLING USING 2-HYDRANINOPYRIDINE DERIVATIVES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1995-08-23 — — EP disclosed
WO-1994010149-A1 MOLECULE LABELLING USING 2-HYDRANINOPYRIDINE DERIVATIVES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1994-05-11 — — WO disclosed
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