SCHEMBL7859375

SCHEMBL7859375

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.45
CA7 P43166 2/20 0.45
CYP2D6 P10635 1/20 0.41
CTSK P43235 9/20 0.39
CTSS P25774 5/20 0.39
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 1/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KMT2A Q03164 1/20 0.35

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 1.00 CA2 (0.45) CA2CA1CA7CYP2D6CTSK
SCHEMBL7861519 0.84 CA1 (0.58) CA2CA1CA7CYP2D6CTSK
SCHEMBL7861485 0.82 CYP2D6 (0.45) CA2CA1CA7CYP2D6CTSK
SCHEMBL8476639 0.82 CYP2D6 (0.45) CA2CA1CA7CYP2D6CTSK
SCHEMBL7863783 0.82 AAK1 (0.48) CA2CA1CA7CYP2D6CTSK
SCHEMBL7861529 0.81 CTSK (0.40) CA2CA1CA7CYP2D6CTSK
SCHEMBL27670281 0.81 PPARA (0.48) CA2CA1CA7CTSKCTSS
SCHEMBL7861496 0.81 PPARG (0.37) CA2CA1CA7CTSKCTSS
SCHEMBL19084258 0.79 CA1 (0.53) CA2CA1CA7CYP2D6CTSK
SCHEMBL7853765 0.79 CTSK (0.43) CA2CA1CA7CTSKCTSS

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