SCHEMBL7861529

SCHEMBL7861529

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.40
CTSS P25774 5/20 0.40
SYK P43405 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ATM Q13315 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 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
SCHEMBL7853765 0.88 CTSK (0.43) CTSKCTSSCA1CA2CA7
SCHEMBL7860556 0.86 CTSK (0.47) CTSKCTSS
SCHEMBL7863783 0.85 AAK1 (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL7861519 0.82 CA1 (0.58) CTSKCTSSCA1CA2CA7
SCHEMBL7853722 0.81 CA2 (0.45) CTSKCTSSCA1CA2CA7
SCHEMBL7859375 0.81 CA2 (0.45) CTSKCTSSCA1CA2CA7
SCHEMBL9911449 0.80 CA1 (0.52) CTSKCTSSSYKCA1CA2
SCHEMBL16638817 0.79 CTSK (0.45) CTSKCTSSSYKCA1CA2
SCHEMBL27670281 0.79 PPARA (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL5115701 0.77 SYK (0.43) CTSKCTSSSYKCA1CA2

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