SCHEMBL14190232

SCHEMBL14190232

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

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.64
▸ CTSK P43235 6/20 0.64
▸ CTSB P07858 2/20 0.64
▸ CTSL P07711 1/20 0.64
▸ ACE P12821 1/20 0.61
▸ PPARA Q07869 3/20 0.60
▸ REN P00797 4/20 0.57
▸ AKT1 P31749 1/20 0.56
▸ PPARG P37231 2/20 0.55
▸ APP P05067 1/20 0.53

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
SCHEMBL21219305 0.91 ACE (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL15671562 0.91 ACE (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL30688549 0.91 ACE (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL29484189 0.91 ACE (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL10050068 0.91 ACE (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL9551322 0.91 ACE (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL2367371 0.91 ACE (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL11436866 0.91 CTSS (0.65) CTSSCTSKCTSBCTSLACE
Methoxymethane SCHEMBL11521996 0.89 ACE (0.69) CTSSCTSKCTSBCTSLACE
SCHEMBL5136258 0.88 CTSS (0.67) CTSSCTSKCTSBCTSLACE

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
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 — — US disclosed
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 — — US disclosed
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