SCHEMBL7645834

SCHEMBL7645834

COc1cc(CNC(=S)CC(COC(=O)c2ccc(C)c(C)c2)Cc2ccc(C)c(C)c2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.47
PTPN7 P35236 2/20 0.46
DUSP3 P51452 2/20 0.46

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
SCHEMBL7644748 0.93 TRPV1 (0.48) TRPV1
SCHEMBL5566321 0.88 TRPV1 (0.62) TRPV1
SCHEMBL7649156 0.84 TRPV1 (0.54) TRPV1PTPN7DUSP3
SCHEMBL7644672 0.81 TRPV1 (0.51) TRPV1
SCHEMBL7648455 0.80 TRPV1 (0.64) TRPV1
SCHEMBL7862851 0.80 TRPV1 (0.45) TRPV1
SCHEMBL7855421 0.79 TRPV1 (0.43) TRPV1PTPN7DUSP3
SCHEMBL7644642 0.78 TRPV1 (0.52) TRPV1PTPN7DUSP3
SCHEMBL6305064 0.78 TRPV1 (0.63) TRPV1
SCHEMBL7644756 0.76 TRPV1 (0.67) TRPV1

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
US-6476076-B1 Vanilloid analogues containing resinferatoxin pharmacophores as potent vanilloid receptor agonists and analgesics, compositions and uses thereof PACIFIC CORPORATION (KR) 2002-11-05 US disclosed
EP-1154989-A1 VANILLOID ANALOGUES CONTAINING RESINIFERATOXIN PHARMACOPHORES AS POTENT VANILLOID RECEPTOR AGONISTS AND ANALGESICS, COMPOSITIONS AND USES THEREOF PACIFIC CORPORATION (KR) 2001-11-21 EP disclosed
WO-2000050387-A1 VANILLOID ANALOGUES CONTAINING RESINIFERATOXIN PHARMACOPHORES AS POTENT VANILLOID RECEPTOR AGONISTS AND ANALGESICS, COMPOSITIONS AND USES THEREOF PACIFIC CORPORATION (KR) 2000-08-31 WO disclosed