SCHEMBL11699761

SCHEMBL11699761

CCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.53
▸ CAPN1 P07384 1/20 0.53
▸ CAPN2 P17655 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ CASP1 P29466 3/20 0.52
▸ CTSS P25774 4/20 0.52
▸ CTSL P07711 3/20 0.52
▸ CTSB P07858 2/20 0.51

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
SCHEMBL11702018 0.88 CYP1A2 (0.58) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL10957418 0.88 CYP1A2 (0.58) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL10453892 0.86 CAPN1 (0.61) CTSKCAPN1CASP1
SCHEMBL9656020 0.85 CAPN1 (0.62) CTSKCAPN1CASP1CTSLCTSB
SCHEMBL11697381 0.84 CASP1 (0.56) CTSKCAPN1CASP1CTSSCTSL
SCHEMBL10868042 0.83 CAPN1 (0.58) CTSKCAPN1CASP1
SCHEMBL9136357 0.82 CTSK (0.62) CTSKCTSSCTSLCTSB
SCHEMBL29052552 0.81 CTSK (0.77) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL29052549 0.81 CTSK (0.77) CTSKCAPN1CAPN2CTSSCTSL
SCHEMBL10802560 0.81 CTSL (0.73) CTSKCAPN1CAPN2CTSSCTSL

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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