SCHEMBL15095154

SCHEMBL15095154

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.58
KLK5 Q9Y337 2/20 0.48
CTSK P43235 4/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
CTSL P07711 3/20 0.44
CTSS P25774 3/20 0.44
CTSB P07858 2/20 0.44
ATM Q13315 1/20 0.44
CTRB1 P17538 2/20 0.43
CASP1 P29466 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL87318 1.00 SYK (0.58) SYKKLK5CTSKTRPM8CTSL
SCHEMBL7404713 0.91 SYK (0.53) SYKKLK5CTSKTRPM8CTSL
SCHEMBL27658167 0.88 SYK (0.55) SYKKLK5CTSKTRPM8CTSL
SCHEMBL27885868 0.88 SYK (0.55) SYKKLK5CTSKTRPM8CTSL
SCHEMBL6612201 0.87 SYK (0.49) SYKKLK5CTSKTRPM8CTSL
SCHEMBL6174500 0.85 SYK (0.55) SYKKLK5CTSKTRPM8CTSL
SCHEMBL5499732 0.85 SYK (0.55) SYKKLK5CTSKTRPM8CTSL
SCHEMBL30481176 0.85 SYK (0.54) SYKKLK5CTSKTRPM8CTSL
SCHEMBL30481183 0.85 SYK (0.54) SYKKLK5CTSKTRPM8CTSL
SCHEMBL30481184 0.85 SYK (0.54) SYKKLK5CTSKTRPM8CTSL

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-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 US disclosed