SCHEMBL22498643

SCHEMBL22498643

CC(C)(C)OC(=O)NCC(NC(=O)OC(C)(C)C)C(=O)NCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.52
CTSK P43235 10/20 0.52
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52
CAPN1 P07384 1/20 0.52
AKT1 P31749 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42

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
SCHEMBL22498641 1.00 CTSS (0.52) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL29844099 0.89 CAPN1 (0.52) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL25206530 0.87 CTSS (0.54) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL9787700 0.87 CTSS (0.69) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL25206531 0.87 CTSS (0.54) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL22507116 0.87 CTSS (0.57) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL4653243 0.85 MEN1 (0.57) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL9226653 0.84 CTSS (0.50) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL4885990 0.84 CTSS (0.52) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL16909018 0.84 SIRT5 (0.57) CTSSCTSKCAPN1SIRT5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3946363-A2 GLUCOSE SENSITIVE INSULIN DERIVATIVES Novo Nordisk A/S (DK) 2022-02-09 EP disclosed
CN-113646329-A Glucose-sensitive insulin derivatives 诺和诺德股份有限公司 2021-11-12 CN disclosed
WO-2020201041-A2 GLUCOSE SENSITIVE INSULIN DERIVATIVES NOVO NORDISK A/S (DK) 2020-10-08 WO disclosed