SCHEMBL31195265

SCHEMBL31195265

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ PSENEN Q9NZ42 1/20 0.47
▸ CA2 P00918 1/20 0.42
▸ REN P00797 1/20 0.42
▸ ENPEP Q07075 5/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ CASP4 P49662 1/20 0.41
▸ CASP5 P51878 1/20 0.41
▸ CASP9 P55211 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CASP8 Q14790 1/20 0.41
▸ CASP10 Q92851 1/20 0.41

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
SCHEMBL31195284 0.92 CTSS (0.44) CTSSCTSKPSENENRENBACE1
SCHEMBL31195276 0.89 CTSS (0.47) CTSSCTSKPSENENCA2REN
SCHEMBL28501207 0.87 REN (0.47) CTSSCTSKCA2REN
SCHEMBL28501209 0.87 REN (0.47) CTSSCTSKCA2REN
SCHEMBL10788830 0.87 REN (0.47) CTSSCTSKCA2REN
SCHEMBL11494115 0.85 CTSS (0.53) CTSSCTSKPSENENCA2REN
SCHEMBL11494122 0.85 CTSS (0.53) CTSSCTSKPSENENCA2REN
SCHEMBL7787127 0.84 CTSS (0.58) CTSSCTSKPSENENCA2ENPEP
SCHEMBL7787124 0.84 CTSS (0.58) CTSSCTSKPSENENCA2ENPEP
SCHEMBL7610438 0.84 CTSS (0.48) CTSSCTSKPSENENRENCASP1

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
CN-118791589-A Polypeptide synthesis method with long chain side chain 甘肃瑞德林生物有限公司 2024-10-18 — — CN disclosed
Send feedback