SCHEMBL11697267

SCHEMBL11697267

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ CCKBR P32239 2/20 0.50
▸ REN P00797 1/20 0.43
▸ CA2 P00918 1/20 0.42
▸ BACE1 P56817 11/20 0.42
▸ TSHR P16473 1/20 0.42
▸ BACE2 Q9Y5Z0 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL11698436 0.90 CTSS (0.54) CTSSCTSKCCKBRRENCA2
SCHEMBL11694126 0.88 CTSK (0.50) CTSSCTSKCCKBRRENCA2
SCHEMBL11697858 0.84 CCKBR (0.76) CTSSCTSKCCKBRMAPT
SCHEMBL11696339 0.84 CTSS (0.48) CTSSCTSKCCKBRRENCA2
Hydrochloric Acid SCHEMBL11697602 0.83 DPP4 (0.38) —
SCHEMBL11699180 0.82 CTSS (0.55) CTSSCTSKCCKBRRENCA2
SCHEMBL11696148 0.82 CTSS (0.57) CTSSCTSKCCKBRRENCA2
SCHEMBL6982979 0.81 CTSS (0.64) CTSSCTSKCCKBRRENCA2
SCHEMBL11698208 0.81 CTSS (0.55) CTSSCTSKCCKBRRENCA2
SCHEMBL11695783 0.79 CTSS (0.56) CTSSCTSKCCKBRRENCA2

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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