SCHEMBL7861519

SCHEMBL7861519

CC(C)[C@@H](CO[N+](=O)[O-])NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
CYP2D6 P10635 1/20 0.42
CTSK P43235 10/20 0.40
CTSS P25774 4/20 0.40
CTSL P07711 3/20 0.36
CTSB P07858 2/20 0.36
KLK5 Q9Y337 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL7853722 0.84 CA2 (0.45) CA1CA2CA7CA4CA9
SCHEMBL7859375 0.84 CA2 (0.45) CA1CA2CA7CA4CA9
SCHEMBL7861529 0.82 CTSK (0.40) CA1CA2CA7CYP2D6CTSK
SCHEMBL7863783 0.79 AAK1 (0.48) CA1CA2CA7CYP2D6CTSK
SCHEMBL12396265 0.79 CA1 (0.67) CA1CA2CA7CA4CA9
SCHEMBL3370592 0.79 CA1 (0.67) CA1CA2CA7CA4CA9
SCHEMBL7420759 0.79 CA1 (0.67) CA1CA2CA7CA4CA9
SCHEMBL27670281 0.79 PPARA (0.48) CA1CA2CA7CTSKCTSS
SCHEMBL38665117 0.79 CA1 (0.71) CA1CA2CA7CA4CA9
SCHEMBL14098271 0.79 CA1 (0.71) CA1CA2CA7CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812835-B1 OPTICALLY ACTIVE THIAZOLIDINONE DERIVATIVES SANKYO CO (JP) 2001-05-23 EP disclosed
US-5925658-A PREVENTING OR TREATING ANGINA PECTORIS SANKYO COMPANY, LIMITED (JP) 1999-07-20 US disclosed
US-5891898-A ANTIULCER AGENT SANKYO COMPANY, LIMITED (JP) 1999-04-06 US disclosed
EP-0812835-A1 OPTICALLY ACTIVE THIAZOLIDINONE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1997-12-17 EP disclosed