SCHEMBL9301974

SCHEMBL9301974

CC(C)(C)OC(=O)C(CCCOS(C)(=O)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.52
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
PSMB5 P28074 2/20 0.47
CTSK P43235 6/20 0.47
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
CTSB P07858 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
PPARA Q07869 1/20 0.44
MAPT P10636 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 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
SCHEMBL30649028 0.97 SYK (0.51) SYKCTSLCTSSPSMB5CTSK
SCHEMBL8592186 0.92 CTSK (0.49) SYKCTSSCTSKKLK7KLK5
SCHEMBL8592181 0.92 CTSK (0.49) SYKCTSSCTSKKLK7KLK5
SCHEMBL8671689 0.88 SIRT2 (0.53) CTSLCTSSCTSKCTSBITGB3
SCHEMBL6947000 0.88 SIRT2 (0.53) CTSLCTSSCTSKCTSBITGB3
SCHEMBL9299794 0.86 SYK (0.52) SYKCTSLCTSSCTSKKLK7
SCHEMBL2856553 0.85 PPARA (0.51) SYKCTSLCTSSCTSKKLK7
SCHEMBL6775947 0.85 PPARA (0.51) SYKCTSLCTSSCTSKKLK7
SCHEMBL26641013 0.84 SIRT2 (0.55) CTSLCTSSCTSKITGB3ITGA2B
SCHEMBL26641008 0.84 SIRT2 (0.55) CTSLCTSSCTSKITGB3ITGA2B

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
US-5362747-A Promoters, inhibitors ABBOTT LABORATORIES (US) 1994-11-08 US disclosed