SCHEMBL7748907

SCHEMBL7748907

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.45
▸ PPARG P37231 4/20 0.45
▸ CTSS P25774 7/20 0.45
▸ CTSK P43235 5/20 0.45
▸ PPARD Q03181 2/20 0.44
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ ACE P12821 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ IDO1 P14902 1/20 0.40

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 1.00 PPARA (0.45) PPARAPPARGCTSSCTSKPPARD
SCHEMBL7747398 0.93 CTSS (0.46) PPARAPPARGCTSSCTSKPPARD
SCHEMBL7743270 0.80 PPARA (0.41) PPARAPPARGCTSSCTSKPPARD
SCHEMBL7750575 0.80 PPARA (0.41) PPARAPPARGCTSSCTSKPPARD
SCHEMBL7943806 0.80 CTSS (0.49) PPARAPPARGCTSSCTSKPPARD
SCHEMBL7995586 0.78 CTSK (0.54) PPARAPPARGCTSSCTSKPPARD
SCHEMBL7747433 0.77 CTSS (0.40) PPARAPPARGCTSSCTSKPPARD
SCHEMBL9404277 0.76 CTSS (0.46) PPARAPPARGCTSSCTSKPPARD
SCHEMBL8910232 0.76 CTSS (0.46) PPARAPPARGCTSSCTSKPPARD
SCHEMBL30777023 0.76 PPARA (0.46) PPARAPPARGCTSSCTSKPPARD

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
Send feedback