SCHEMBL11266960

SCHEMBL11266960

CC(CC(=O)NO)C(=O)N1CC2(CCSS2)C[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.51
ACE P12821 5/20 0.37
MMP3 P08254 1/20 0.34
ABCB11 O95342 1/20 0.34
HDAC8 Q9BY41 4/20 0.34
PDF Q9HBH1 2/20 0.32

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
SCHEMBL11260990 0.89 ACE (0.47) RENACE
SCHEMBL11255102 0.87 ACE (0.36) RENACEABCB11
SCHEMBL11258386 0.83 ABCB11 (0.39) RENACEABCB11
SCHEMBL11266964 0.80 REN (0.56) RENACEABCB11HDAC8
SCHEMBL11269497 0.79 ACE (0.34) ACE
SCHEMBL11304174 0.71
SCHEMBL11260996 0.69 ACE (0.53) RENACEABCB11HDAC8
SCHEMBL11563553 0.68 REN (1.00) RENACE
SCHEMBL11255108 0.68 ACE (0.53) RENACEABCB11HDAC8
SCHEMBL11562206 0.66 REN (0.67) RENACEMMP3

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-0049589-A1 Carboxyalkanoyl and hydroxycarbamoylalkanoyl derivatives of substituted prolines E.R. Squibb & Sons, Inc. (US) 1982-04-14 EP disclosed
US-4311705-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-01-19 US disclosed