SCHEMBL15004693

SCHEMBL15004693

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

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.67
▸ ECE1 P42892 11/20 0.65
▸ ACE P12821 4/20 0.64
▸ LTA4H P09960 1/20 0.60
▸ MMP1 P03956 1/20 0.59

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 0.92 ACE (0.62) ERAP2ECE1ACELTA4H
SCHEMBL15005417 0.92 ACE (0.61) ERAP2ECE1ACELTA4H
SCHEMBL15005416 0.92 ERAP2 (0.57) ERAP2ECE1ACEMMP1
SCHEMBL10030546 0.90 ACE (0.71) ECE1ACE
SCHEMBL27478211 0.88 ERAP2 (0.66) ERAP2ECE1ACELTA4H
SCHEMBL27461667 0.88 ERAP2 (0.66) ERAP2ECE1ACELTA4H
SCHEMBL30310892 0.88 ERAP2 (0.66) ERAP2ECE1ACELTA4H
SCHEMBL27679085 0.87 ACE (0.67) ERAP2ECE1ACELTA4H
SCHEMBL27462136 0.87 ERAP2 (0.60) ERAP2ECE1ACELTA4H
SCHEMBL30123123 0.87 ERAP2 (0.76) ERAP2ECE1ACEMMP1

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-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 claimed
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 claimed
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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