SCHEMBL7863783

SCHEMBL7863783

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.48
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CTSK P43235 3/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
CTSB P07858 1/20 0.43
CAPN1 P07384 1/20 0.41
CYP2D6 P10635 1/20 0.38

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
SCHEMBL7861529 0.85 CTSK (0.40) CA1CA2CA7CTSKCTSS
SCHEMBL3306254 0.83 AAK1 (0.41) AAK1CA1CA2CA7CTSK
SCHEMBL7853765 0.83 CTSK (0.43) CA1CA2CA7CTSKCTSS
SCHEMBL7853722 0.82 CA2 (0.45) CA1CA2CA7CTSKCTSL
SCHEMBL7859375 0.82 CA2 (0.45) CA1CA2CA7CTSKCTSL
SCHEMBL19227630 0.81 CA1 (0.58) AAK1CA1CA2CA7CTSK
SCHEMBL7860556 0.81 CTSK (0.47) CTSKCTSS
SCHEMBL14923598 0.80 AAK1 (0.53) AAK1CA1CA2CA7CTSK
SCHEMBL14175255 0.80 AAK1 (0.53) AAK1CA1CA2CA7CTSK
SCHEMBL3375872 0.80 AAK1 (0.53) AAK1CA1CA2CA7CTSK

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