SCHEMBL8553630

SCHEMBL8553630

NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 18/20 0.64
CTSL P07711 1/20 0.57

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
SCHEMBL6159279 1.00 CASP1 (0.64) CASP1CTSL
SCHEMBL8955765 0.91 CTSL (0.57) CASP1CTSL
SCHEMBL29004082 0.89 CTSL (0.59) CASP1CTSL
SCHEMBL28645697 0.88 CTSK (0.57) CASP1CTSL
SCHEMBL13007019 0.88 CASP1 (0.64) CASP1CTSL
SCHEMBL15381004 0.88 CASP1 (0.64) CASP1CTSL
SCHEMBL4280669 0.88 CASP1 (0.67) CASP1
SCHEMBL554032 0.88 CASP1 (0.67) CASP1
SCHEMBL4280674 0.88 CASP1 (0.67) CASP1
SCHEMBL376886 0.88 CASP1 (0.67) CASP1

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-0712854-B1 Baccatin derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1998-07-01 EP disclosed
US-5608073-A TAXANE INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 1997-03-04 US disclosed
US-5589502-A ANTITUMOR TANABE SEIYAKU CO., LTD. (JP) 1996-12-31 US disclosed
EP-0712854-A1 Baccatin derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1996-05-22 EP disclosed