SCHEMBL7747403

SCHEMBL7747403

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nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.30
TRPM8 Q7Z2W7 2/20 0.30
NPC1 O15118 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1633562 1.00 TRPA1 (0.30) TRPA1TRPM8NPC1L3MBTL1
SCHEMBL6248974 1.00 TRPA1 (0.30) TRPA1TRPM8NPC1L3MBTL1
SCHEMBL8444804 0.74 NPC1 (0.34) TRPA1TRPM8NPC1L3MBTL1
SCHEMBL1697828 0.74 TRPA1 (0.35) TRPA1TRPM8NPC1L3MBTL1
SCHEMBL23332079 0.73 NOS3 (0.31) TRPA1TRPM8NPC1L3MBTL1
Rel-Menthone SCHEMBL21711 0.73 TLR4 (0.39) TRPA1TRPM8NPC1L3MBTL1
Menthone SCHEMBL21709 0.73 TLR4 (0.39) TRPA1TRPM8NPC1L3MBTL1
Menthone SCHEMBL4395963 0.73 TLR4 (0.39) TRPA1TRPM8NPC1L3MBTL1
SCHEMBL2121390 0.73 NOS3 (0.35) TRPA1TRPM8NPC1L3MBTL1
Menthone SCHEMBL901274 0.73 TLR4 (0.39) TRPA1TRPM8NPC1L3MBTL1

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