SCHEMBL7865620

SCHEMBL7865620

CCCCCC(=O)OCC(CC(=S)NCc1ccc(O)c(OC)c1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.58
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C19 P33261 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54

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
SCHEMBL7645386 0.99 TRPV1 (0.60) TRPV1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7644642 0.86 TRPV1 (0.52) TRPV1CYP3A4ALOX15
SCHEMBL7649156 0.85 TRPV1 (0.54) TRPV1CYP3A4ALOX15
SCHEMBL7644756 0.84 TRPV1 (0.67) TRPV1
SCHEMBL7644763 0.84 TRPV1 (0.67) TRPV1
SCHEMBL7644672 0.80 TRPV1 (0.51) TRPV1
SCHEMBL7648455 0.79 TRPV1 (0.64) TRPV1
SCHEMBL7644748 0.78 TRPV1 (0.48) TRPV1
SCHEMBL7646868 0.76 TRPV1 (0.79) TRPV1
SCHEMBL7643950 0.76 TRPV1 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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