SCHEMBL7747396

SCHEMBL7747396

CC(C)(C)OC(=O)NC(c1ccccc1)C(O)C(=S)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.48
CTSS P25774 4/20 0.48
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.42
ACE P12821 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
KLK5 Q9Y337 1/20 0.39

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
SCHEMBL7747407 0.90 CTSK (0.49) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL7748905 0.90 CTSK (0.49) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL144832 0.87 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL335777 0.87 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL6166 0.87 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL12070284 0.87 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL7087412 0.87 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL767076 0.87 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL13363641 0.87 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL8886861 0.87 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776322-B1 METHOD FOR THE PREPARATION OF TAXOL AND ITS DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-11-07 EP disclosed
EP-1116718-A2 Method for the preparation of taxol and its derivatives PHARMACIA & UPJOHN S.p.A. (IT) 2001-07-18 EP disclosed
US-5767282-A Method for the preparation of taxol and its derivatives PHARMACIA & UPJOHN S.P.A. (IT) 1998-06-16 US disclosed
EP-0776322-A1 METHOD FOR THE PREPARATION OF TAXOL AND ITS DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1997-06-04 EP disclosed
WO-1997000870-A1 METHOD FOR THE PREPARATION OF TAXOL AND ITS DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-01-09 WO disclosed