SCHEMBL11698208

SCHEMBL11698208

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.55
▸ CTSK P43235 1/20 0.55
▸ BACE1 P56817 14/20 0.50
▸ CCKBR P32239 2/20 0.50
▸ TSHR P16473 1/20 0.48
▸ BACE2 Q9Y5Z0 1/20 0.47
▸ CA2 P00918 1/20 0.44
▸ REN P00797 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
SCHEMBL11696148 0.89 CTSS (0.57) CTSSCTSKBACE1CCKBRTSHR
SCHEMBL11699180 0.87 CTSS (0.55) CTSSCTSKBACE1CCKBRBACE2
SCHEMBL11695783 0.86 CTSS (0.56) CTSSCTSKBACE1CCKBRTSHR
SCHEMBL11693129 0.84 CTSK (0.54) CTSSCTSKCCKBRCA2
SCHEMBL6982979 0.84 CTSS (0.64) CTSSCTSKBACE1CCKBRTSHR
SCHEMBL30402129 0.84 CTSS (0.64) CTSSCTSKBACE1TSHRBACE2
SCHEMBL11700448 0.83 CCKBR (0.76) CTSSCTSKCCKBR
SCHEMBL15113474 0.82 CTSS (0.60) CTSSCTSKBACE1TSHRBACE2
SCHEMBL11697267 0.81 CTSS (0.52) CTSSCTSKBACE1CCKBRTSHR
SCHEMBL11698436 0.80 CTSS (0.54) CTSSCTSKBACE1CCKBRTSHR

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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