SCHEMBL4558358

SCHEMBL4558358

CCC=CCCCCC(=O)N(C)Cc1ccc(O)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.55
CYP1A2 P05177 4/20 0.55
CYP3A4 P08684 4/20 0.55
CYP2D6 P10635 3/20 0.55
MAPT P10636 3/20 0.55
HPGD P15428 2/20 0.55
MEN1 O00255 2/20 0.55
TP53 P04637 2/20 0.55
KMT2A Q03164 2/20 0.55
MTOR P42345 1/20 0.55
HTR1A P08908 3/20 0.54
ALOX5 P09917 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
LTA4H P09960 2/20 0.54
CYP2E1 P05181 1/20 0.54
CYP2C8 P10632 1/20 0.54
CYP2A6 P11509 1/20 0.54
CYP2B6 P20813 1/20 0.54
ALDH1A1 P00352 3/20 0.52

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
SCHEMBL57333 1.00 TRPV1 (0.55) TRPV1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL16715940 0.92 TRPV1 (0.66) TRPV1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL14302244 0.88 TRPV1 (0.66) TRPV1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL7795393 0.85 CYP3A4 (0.64) TRPV1CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL12802331 0.81 TRPV1 (0.66) TRPV1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL12802334 0.81 TRPV1 (0.66) TRPV1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL31010737 0.79 TRPV1 (0.85) TRPV1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL1286874 0.79 TRPV1 (0.85) TRPV1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL1286875 0.79 TRPV1 (0.85) TRPV1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL1586354 0.78 TRPV1 (0.88) TRPV1CYP1A2CYP3A4CYP2D6MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001068082-A1 TREATMENT AND/OR PREVENTION OF OCULAR PAIN UNISEARCH LIMITED (AU) 2001-09-20 WO claimed
EP-1605956-A4 ADMINISTRATION OF CAPSAICINOIDS ALGORX PHARMACEUTICALS INC (US) 2009-04-29 EP disclosed
EP-1587506-A4 ADMINISTRATION OF CAPSAICINOIDS ALGORX (US) 2006-05-24 EP disclosed
EP-1605956-A1 ADMINISTRATION OF CAPSAICINOIDS Algorx Pharmaceuticals, Inc. (US) 2005-12-21 EP disclosed
EP-1587506-A2 ADMINISTRATION OF CAPSAICINOIDS Algorx (US) 2005-10-26 EP disclosed
WO-2004058286-A1 ADMINISTRATION OF CAPSAICINOIDS ALGORX PHARMACEUTICALS, INC. (US) 2004-07-15 WO disclosed
WO-2004056305-A2 ADMINISTRATION OF CAPSAICINOIDS ALGORX (US) 2004-07-08 WO disclosed
US-20020006449-A1 Method of treatment of warts and moles TERRY JAMES M (US) 2002-01-17 US disclosed
US-6235788-B1 Method for treating pre-malignant basal and squamous cell lesions of the epithelium HEMAWAY PRODUCTS, L.C. 2001-05-22 US disclosed
EP-0401903-A2 The use of vanilloids for the treatment of respiratory diseases or disorders THE PROCTER & GAMBLE COMPANY (US) 1990-12-12 EP disclosed
EP-0347000-A2 The use of vanilloids for the manufacture of a medicament for treating herpes simplex infections THE PROCTER & GAMBLE COMPANY (US) 1989-12-20 EP disclosed