SCHEMBL9034005

SCHEMBL9034005

Cc1cc(CN2CCCC2)sc1C(O)C(NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.43
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
SYK P43405 1/20 0.41
OPRK1 P41145 4/20 0.41
CTSS P25774 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
BACE1 P56817 1/20 0.38
CAPN1 P07384 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 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
SCHEMBL9033818 0.86 CTSL (0.45) CTSLCTSBCTSKSYKOPRK1
SCHEMBL9033382 0.85 CTSL (0.43) CTSLCTSBCTSKSYKOPRK1
SCHEMBL9033091 0.85 CTSL (0.46) CTSLCTSBCTSKSYKOPRK1
SCHEMBL9032093 0.77 SMN1; SMN2 (0.33) ADORA2AADORA1
SCHEMBL9034307 0.77 OPRK1 (0.48) CTSLCTSKSYKOPRK1ITGB3
SCHEMBL9032737 0.77 CTSL (0.44) CTSLCTSBCTSKOPRK1CTSS
SCHEMBL9031818 0.76 CTSL (0.44) CTSLCTSBCTSKOPRK1CTSS
SCHEMBL7286508 0.72 CTSL (0.62) CTSLCTSBCTSKSYKCTSS
SCHEMBL2679219 0.72 CTSL (0.62) CTSLCTSBCTSKSYKCTSS
SCHEMBL2679221 0.72 CTSL (0.62) CTSLCTSBCTSKSYKCTSS

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
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed