SCHEMBL11693129

SCHEMBL11693129

CCCCC(NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.54
▸ CTSS P25774 3/20 0.54
▸ CCKBR P32239 9/20 0.51
▸ CCKAR P32238 7/20 0.47
▸ CA2 P00918 1/20 0.43

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
SCHEMBL11695783 0.94 CTSS (0.56) CTSKCTSSCCKBRCCKARCA2
SCHEMBL11181475 0.87 CTSK (0.59) CTSKCTSSCCKBRCA2
SCHEMBL11699180 0.86 CTSS (0.55) CTSKCTSSCCKBRCA2
SCHEMBL11696148 0.86 CTSS (0.57) CTSKCTSSCCKBRCA2
SCHEMBL11698208 0.84 CTSS (0.55) CTSKCTSSCCKBRCA2
SCHEMBL11694126 0.84 CTSK (0.50) CTSKCTSSCCKBRCCKARCA2
SCHEMBL11696956 0.83 CCKBR (0.78) CCKBRCCKAR
SCHEMBL6982979 0.83 CTSS (0.64) CTSKCTSSCCKBRCA2
SCHEMBL30423657 0.82 CTSK (0.63) CTSKCTSSCCKBR
SCHEMBL11175942 0.82 CTSK (0.54) CTSKCTSSCCKBRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4012367-A Anti-ulcer polypeptides containing L-aspartic acid and intermediates thereto G. D. SEARLE & CO. (US) 1977-03-15 — — US disclosed
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