SCHEMBL28034519

SCHEMBL28034519

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.49
CAPN1 P07384 2/20 0.44
CTSS P25774 3/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44

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
SCHEMBL2140167 0.87 CTSK (0.48) CTSKCTSSCTSLCTSB
SCHEMBL6014225 0.84 CTSK (0.44) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL724546 0.83 CTSK (0.46) CTSKCTSSCTSLCTSB
SCHEMBL8744670 0.82 SLC1A3 (0.41) CTSKCTSSCTSLCTSB
SCHEMBL11209394 0.78 CTSK (0.58) CTSKCTSSCTSLCTSB
SCHEMBL27824395 0.78 CTSK (0.58) CTSKCTSSCTSLCTSB
SCHEMBL27809385 0.78 ANPEP (0.48) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL20770089 0.77 CTSK (0.58) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL998948 0.76 MME (0.54) CTSKCAPN1CTSSCTSLCTSB
SCHEMBL5934705 0.76 CTSK (0.58) CTSKCAPN1CTSSCTSLCTSB

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-102939109-B Conjugates of drugs and protein-binding prodrugs KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2015-12-02 CN disclosed