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Aspartic Acid

Aspartic Acid

SCHEMBL9511966

CC[C@H](C)[C@H](N)C(=O)OC(=O)[C@@H](N)CS.N=C(N)NCCC[C@H](N)C(=O)OC[C@H](N)C(=O)Oc1ccc(C[C@H](N)C(=O)O)cc1.NCC(=O)O.N[C@@H](CC(=O)O)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.33

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 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ NPY1R P25929 3/20 0.30
▸ NPY4R P50391 3/20 0.30
▸ NPY2R P49146 2/20 0.30
▸ NPY5R Q15761 2/20 0.30
▸ KEAP1 Q14145 1/20 0.30

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
Proline SCHEMBL3087442 0.89 MAPK8 (0.33) MAPK8MAPK9MAPK10
Proline SCHEMBL9512840 0.85 NPY4R (0.31) MAPK8MAPK9MAPK10NPY1RNPY4R
Phenylalanine SCHEMBL1585346 0.82 TUBB4A (0.33) MAPK8MAPK9MAPK10KEAP1
Leucine SCHEMBL5151721 0.82 REN (0.34) —
Arginine SCHEMBL4405153 0.81 NPY4R (0.36) NPY1RNPY4RNPY2RNPY5R
Valine SCHEMBL18684829 0.80 TUBB4A (0.32) NPY1RNPY4R
Serine SCHEMBL8169168 0.80 NPY4R (0.32) MAPK8MAPK9MAPK10NPY1RNPY4R
Leucine SCHEMBL17065117 0.80 REN (0.33) MAPK8MAPK9MAPK10
Arginine SCHEMBL10725933 0.80 REN (0.34) MAPK8MAPK9MAPK10NPY1RNPY4R
Glycine SCHEMBL9511974 0.80 NPY4R (0.40) NPY1RNPY4RNPY2RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278781-B1 Peptides with laminin activity US COMMERCE (US) 1993-11-03 — — EP claimed
WO-1988006039-A1 PEPTIDES WITH LAMININ ACTIVITY UNITED STATES OF AMERICA, REPRESENTED BY THE UNITE (US) 1988-08-25 — — WO claimed