SCHEMBL8749776

SCHEMBL8749776

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.56
SYK P43405 1/20 0.56
CTSK P43235 11/20 0.53
CTSS P25774 7/20 0.53
CTSL P07711 6/20 0.53
PPARG P37231 1/20 0.51
KLK7 P49862 1/20 0.49
KLK5 Q9Y337 1/20 0.49
CTSB P07858 3/20 0.49
PSMB5 P28074 1/20 0.47

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
SCHEMBL9470479 0.90 PPARA (0.67) PPARASYKCTSKCTSSCTSL
SCHEMBL6436359 0.88 CTSK (0.60) PPARASYKCTSKCTSSCTSL
SCHEMBL15354873 0.86 PPARA (0.61) PPARASYKCTSKCTSSCTSL
SCHEMBL376154 0.85 SYK (0.57) PPARASYKCTSKCTSSCTSL
SCHEMBL995705 0.85 SYK (0.57) PPARASYKCTSKCTSSCTSL
SCHEMBL2619553 0.85 SYK (0.57) PPARASYKCTSKCTSSCTSL
SCHEMBL6320951 0.85 SYK (0.59) PPARASYKCTSKCTSSCTSL
SCHEMBL4641124 0.85 SYK (0.59) PPARASYKCTSKCTSSCTSL
SCHEMBL2677162 0.85 SYK (0.59) PPARASYKCTSKCTSSCTSL
SCHEMBL13640158 0.84 PPARA (0.59) PPARASYKCTSKCTSSCTSL

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-0482080-B1 SMALL CYCLIC PLATELET AGGREGATION INHIBITORS GENENTECH INC (US) 1997-03-26 EP disclosed