SCHEMBL9831451

SCHEMBL9831451

Cc1ccc(COC(=O)NC(CC(=O)O)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.46
CTSL P07711 1/20 0.46
TGM2 P21980 1/20 0.46
ELANE P08246 1/20 0.44
CASP3 P42574 2/20 0.44
ATM Q13315 2/20 0.44
CASP1 P29466 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
TPSAB1 Q15661 2/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
NAAA Q02083 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
SCHEMBL3202235 0.89 ATM (0.56) CTSKCTSLELANECASP3ATM
SCHEMBL19859590 0.89 ATM (0.56) CTSKCTSLELANECASP3ATM
SCHEMBL9749127 0.89 ATM (0.56) CTSKCTSLELANECASP3ATM
SCHEMBL8604954 0.80 CTSL (0.51) CTSKCTSLTGM2ELANEATM
SCHEMBL20467672 0.80 TPSAB1 (0.53) CTSKCTSLTGM2ATMTPSAB1
SCHEMBL31264459 0.79 CTSL (0.56) CTSKCTSLELANECASP3ATM
SCHEMBL15395673 0.79 ATM (0.54) CTSKCTSLELANEATMTRPM8
SCHEMBL13202029 0.79 CTSL (0.56) CTSKCTSLELANECASP3ATM
SCHEMBL6044753 0.78 ELANE (0.51) CTSKCTSLELANEATMCASP1
SCHEMBL6044757 0.78 ELANE (0.51) CTSKCTSLELANEATMCASP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed