SCHEMBL15005417

SCHEMBL15005417

CC(C)CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.[Na]

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.61
▸ ECE1 P42892 12/20 0.60
▸ ERAP2 Q6P179 1/20 0.59
▸ LTA4H P09960 1/20 0.55
▸ ALOX15 P16050 1/20 0.54

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
SCHEMBL15004694 0.99 ACE (0.62) ACEECE1ERAP2LTA4HALOX15
SCHEMBL15004693 0.92 ERAP2 (0.67) ACEECE1ERAP2LTA4H
SCHEMBL30010641 0.89 ACE (0.60) ACEECE1ERAP2LTA4HALOX15
SCHEMBL30311059 0.88 ACE (0.64) ACEECE1ERAP2ALOX15
SCHEMBL10030546 0.87 ACE (0.71) ACEECE1ALOX15
SCHEMBL29816206 0.87 ERAP2 (0.67) ACEECE1ERAP2
SCHEMBL30988893 0.86 ACE (0.61) ACEECE1ERAP2ALOX15
SCHEMBL30997441 0.85 ACE (0.61) ACEECE1ERAP2ALOX15
SCHEMBL8846626 0.85 ACE (0.56) ACEECE1ERAP2LTA4HALOX15
SCHEMBL31074338 0.85 ERAP2 (0.67) ACEECE1ERAP2

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-2601963-B1 N-ISOVALEROYL-L-GLUTAMYL-L-TRYPTOPHAN AS AN AGENT INHIBITING THE FORMATION OF ULCERS IN THE STOMACH AND THE DUODENUM OBSHESTVO S OGRANICHENNOJ OTVETSTVENNOSTJU CYTONIR (RU) 2015-04-22 — — EP disclosed
EP-2601963-A1 N-ISOVALEROYL-L-GLUTAMYL-L-TRYPTOPHAN AS AN AGENT INHIBITING THE FORMATION OF ULCERS IN THE STOMACH AND THE DUODENUM Obshestvo S Ogranichennoj Otvetstvennostju "citoNIR" (RU) 2013-06-12 — — EP disclosed
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