SCHEMBL5203899

SCHEMBL5203899

CN(C(=O)OC(C)(C)C)[C@H](C[Si](C)(C)C)C(=O)N[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.43
GPR132 Q9UNW8 5/20 0.42
CYP3A4 P08684 10/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
SCN9A Q15858 1/20 0.41
CMKLR2 P46091 1/20 0.40
CMKLR1 Q99788 1/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL13323784 0.82 ACE (0.52) RENCYP3A4CTSLCTSBSCN9A
SCHEMBL2367464 0.82 ACE (0.52) RENCYP3A4CTSLCTSBSCN9A
SCHEMBL23092737 0.81 LMNA (0.44) CYP3A4SCN9A
SCHEMBL29715367 0.81 LMNA (0.44) CYP3A4SCN9A
SCHEMBL5205285 0.81 LMNA (0.44) CYP3A4SCN9A
SCHEMBL22457492 0.81 REN (0.58) RENCTSLCTSBACE
SCHEMBL24435851 0.81 REN (0.58) RENCTSLCTSBACE
SCHEMBL3820797 0.80 MMP13 (0.36) RENCTSLCTSB
SCHEMBL479035 0.78 ACE (0.61) GPR132CYP3A4CTSLCTSBSCN9A
SCHEMBL479037 0.78 ACE (0.61) GPR132CYP3A4CTSLCTSBSCN9A

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-1807443-A1 ACYLATED NONADEPSIPEPTIDES USED AS LYSOBACTIN DERIVATIVES AiCuris GmbH & Co. KG (DE) 2007-07-18 EP disclosed
WO-2006048139-A1 ACYLATED NONADEPSIPEPTIDES USED AS LYSOBACTIN DERIVATIVES AICURIS GMBH & CO. KG (DE) 2006-05-11 WO disclosed