SCHEMBL7750575

SCHEMBL7750575

CC(C)(C)OC(=O)N[C@@H](Sc1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.41
▸ PPARG P37231 4/20 0.41
▸ CTSS P25774 5/20 0.40
▸ CTSK P43235 4/20 0.40
▸ ATM Q13315 2/20 0.40
▸ PPARD Q03181 2/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ACE P12821 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL7743270 1.00 PPARA (0.41) PPARAPPARGCTSSCTSKATM
SCHEMBL7747433 0.93 CTSS (0.40) PPARAPPARGCTSSCTSKATM
SCHEMBL7747398 0.81 CTSS (0.46) PPARAPPARGCTSSCTSKATM
SCHEMBL4179331 0.81 CTSK (0.44) PPARAPPARGCTSSCTSKATM
SCHEMBL7748907 0.80 PPARA (0.45) PPARAPPARGCTSSCTSKATM
SCHEMBL7747410 0.80 PPARA (0.45) PPARAPPARGCTSSCTSKATM
SCHEMBL7750570 0.74 CTSK (0.43) PPARAPPARGCTSSCTSKATM
SCHEMBL7743269 0.74 CTSK (0.43) PPARAPPARGCTSSCTSKATM
SCHEMBL31477252 0.74 CTSK (0.43) CTSSCTSKATMCTSLALDH1A1
SCHEMBL7943806 0.74 CTSS (0.49) PPARAPPARGCTSSCTSKATM

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
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