SCHEMBL9831759

SCHEMBL9831759

CSC[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 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.64
CTSK P43235 4/20 0.64
CTSB P07858 2/20 0.64
CTSL P07711 2/20 0.64
PPARA Q07869 4/20 0.63
PPARG P37231 3/20 0.63
ACE P12821 1/20 0.61
PPARD Q03181 2/20 0.57
REN P00797 4/20 0.57
AKT1 P31749 1/20 0.56
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) CTSSCTSKCTSBCTSLPPARA
SCHEMBL29484189 0.91 ACE (0.72) CTSSCTSKCTSBCTSLPPARA
SCHEMBL10050068 0.91 ACE (0.72) CTSSCTSKCTSBCTSLPPARA
SCHEMBL9551322 0.91 ACE (0.72) CTSSCTSKCTSBCTSLPPARA
SCHEMBL30688549 0.91 ACE (0.72) CTSSCTSKCTSBCTSLPPARA
SCHEMBL15671562 0.91 ACE (0.72) CTSSCTSKCTSBCTSLPPARA
SCHEMBL2367371 0.91 ACE (0.72) CTSSCTSKCTSBCTSLPPARA
SCHEMBL14509561 0.91 CTSS (0.61) CTSSCTSKCTSBCTSLPPARA
SCHEMBL29193585 0.91 CTSS (0.61) CTSSCTSKCTSBCTSLPPARA
SCHEMBL7815002 0.90 REN (0.61) CTSSCTSKCTSBCTSLPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4826958-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed
EP-0184855-A2 Resin inhibiting compounds ABBOTT LABORATORIES (US) 1986-06-18 EP disclosed