SCHEMBL7747431

SCHEMBL7747431

CC(C)(C)OC(=O)NC(c1ccccc1)C(O[Si](C)(C)C(C)(C)C)C(=S)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.42
CTSS P25774 3/20 0.42
MAPT P10636 2/20 0.38
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
ATM Q13315 2/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CXCR2 P25025 2/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
SYK P43405 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
SCHEMBL7750570 0.92 CTSK (0.43) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL7743269 0.92 CTSK (0.43) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL4179331 0.89 CTSK (0.44) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL31477252 0.87 CTSK (0.43) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL3780925 0.80 CTSK (0.43) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL7747396 0.79 CTSK (0.48) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL7747868 0.77 LMNA (0.44) MAPTATMALDH1A1
SCHEMBL7747788 0.77 LMNA (0.44) MAPTATMALDH1A1
SCHEMBL7750524 0.77 LMNA (0.44) MAPTATMALDH1A1
SCHEMBL4186353 0.76 HTT (0.49) CTSKALDH1A1

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 3 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