Aspartic Acid

Aspartic Acid

SCHEMBL7363750

N[C@@H](CC(=O)O)C(=O)O.N[C@@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)C(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SSTR1SSTR2SSTR3SSTR5

The experimentally established mechanism targets of Aspartic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.53
PTPN1 P18031 2/20 0.52
PTGS1 P23219 3/20 0.51
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
XIAP P98170 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
LDHA P00338 1/20 0.46
TYR P14679 5/20 0.46
TPH1 P17752 2/20 0.46
GRB2 P62993 1/20 0.46
ALOX15 P16050 3/20 0.45
HIF1A Q16665 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
USP2 O75604 1/20 0.45
EGFR P00533 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45

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
Aspartic Acid SCHEMBL7363742 1.00 SLC7A5 (0.53) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL7360179 0.92 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL7360168 0.92 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ALPIPKM
Tyrosine SCHEMBL29008371 0.80 SLC7A5 (0.83) SLC7A5PTGS1ALPIPKMXIAP
Aspartic Acid SCHEMBL28005880 0.80 SLC7A5 (0.61) SLC7A5PTPN1PTGS1ALPIPKM
Tyrosine SCHEMBL5970168 0.80 SLC7A5 (0.83) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL5970166 0.80 SLC7A5 (0.83) SLC7A5PTGS1ALPIPKMXIAP
Dl-Phenylalanine SCHEMBL1897792 0.79 SLC7A5 (0.81) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL7248684 0.79 SLC7A5 (0.81) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL27548157 0.79 SLC7A5 (0.81) SLC7A5PTGS1ALPIPKMXIAP

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
US-6307090-B1 OXALYL ENDCAPPED; CONTAINING A BIVALENT RADICAL OF PHOSPHOTYROSINE OR A PHOSPHOTYROSINE MIMETIC THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-10-23 US disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed
WO-1997007131-A1 ACYLATED OLIGOPEPTIDES CONTAINING PHOSPHOTYROSINE AS INHIBITORS OF PROTEIN TYROSINE KINASES NOVARTIS AG (CH) 1997-02-27 WO disclosed