SCHEMBL7747398

SCHEMBL7747398

CC(C)(C)OC(=O)NC(Sc1ccccc1)C(O)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.46
▸ CTSK P43235 4/20 0.46
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ PPARA Q07869 4/20 0.43
▸ PPARG P37231 3/20 0.43
▸ ATM Q13315 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ KLK5 Q9Y337 2/20 0.42
▸ PPARD Q03181 2/20 0.42
▸ SYK P43405 1/20 0.41

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
SCHEMBL7747410 0.93 PPARA (0.45) CTSSCTSKCTSLCTSBMMP13
SCHEMBL7748907 0.93 PPARA (0.45) CTSSCTSKCTSLCTSBMMP13
SCHEMBL7747433 0.83 CTSS (0.40) CTSSCTSKCTSLCTSBMMP13
SCHEMBL7750575 0.81 PPARA (0.41) CTSSCTSKCTSLCTSBMMP13
SCHEMBL7743270 0.81 PPARA (0.41) CTSSCTSKCTSLCTSBMMP13
SCHEMBL7943806 0.81 CTSS (0.49) CTSSCTSKCTSLCTSBMMP13
SCHEMBL7995586 0.79 CTSK (0.54) CTSSCTSKCTSLCTSBMMP13
SCHEMBL8910232 0.77 CTSS (0.46) CTSSCTSKCTSLCTSBMMP13
SCHEMBL9404277 0.77 CTSS (0.46) CTSSCTSKCTSLCTSBMMP13
SCHEMBL7356817 0.75 LMNA (0.42) POLBMAPK1

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
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