SCHEMBL9033818

SCHEMBL9033818

CC(C)(C)OC(=O)C(NC(=O)OCc1ccccc1)C(O)c1ccc(CN2CCCC2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.45
CTSB P07858 2/20 0.43
CTSK P43235 2/20 0.43
SYK P43405 1/20 0.43
OPRK1 P41145 4/20 0.42
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ATM Q13315 1/20 0.39
CTSS P25774 2/20 0.39
MAPT P10636 1/20 0.39
CAPN1 P07384 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38

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
SCHEMBL9033091 0.99 CTSL (0.46) CTSLCTSBCTSKSYKOPRK1
SCHEMBL9032737 0.89 CTSL (0.44) CTSLCTSBCTSKOPRK1ITGB3
SCHEMBL9031818 0.88 CTSL (0.44) CTSLCTSBCTSKOPRK1ITGB3
SCHEMBL9034005 0.86 CTSL (0.43) CTSLCTSBCTSKSYKOPRK1
SCHEMBL9033382 0.85 CTSL (0.43) CTSLCTSBCTSKSYKOPRK1
SCHEMBL9034272 0.84 ATM (0.45) CTSLCTSBCTSKOPRK1ITGB3
SCHEMBL8697846 0.83 OPRK1 (0.44) CTSLCTSBCTSKOPRK1ITGB3
SCHEMBL8698405 0.82 HRH3 (0.39) CTSLCTSBCTSKMAPTSMN1; SMN2
SCHEMBL9034307 0.82 OPRK1 (0.48) CTSLCTSKSYKOPRK1ITGB3
SCHEMBL9034647 0.81 CTSL (0.38) CTSLCTSBCTSKMAPTADORA1

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