SCHEMBL4558360

SCHEMBL4558360

CCC=CCCCC(C)C(=O)NCc1ccc(O)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.59
CYP1A2 P05177 4/20 0.59
CYP3A4 P08684 4/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
CYP2D6 P10635 3/20 0.59
TP53 P04637 2/20 0.59
HPGD P15428 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
KDM1A O60341 1/20 0.59
NR1I2 O75469 1/20 0.59
LMNA P02545 1/20 0.59
ALOX5 P09917 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
ALOX15 P16050 1/20 0.59
PTGS1 P23219 1/20 0.59
HTR2C P28335 1/20 0.59

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
SCHEMBL4558356 1.00 TRPV1 (0.59) TRPV1CYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL57332 1.00 TRPV1 (0.59) TRPV1CYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL8834742 0.90 TRPV1 (0.72) TRPV1CYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL10065533 0.84 TRPV1 (0.71) TRPV1CYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL7795391 0.84 TRPV1 (0.71) TRPV1CYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL1286875 0.81 TRPV1 (0.85) TRPV1CYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL31010737 0.81 TRPV1 (0.85) TRPV1CYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL1286874 0.81 TRPV1 (0.85) TRPV1CYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL18261855 0.81 TRPV1 (0.59) TRPV1CYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL1586354 0.81 TRPV1 (0.88) TRPV1CYP1A2CYP3A4ALDH1A1MAPT

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
US-9901644-B2 Dual acting prodrugs KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2018-02-27 US disclosed
US-20160346396-A1 Dual Acting Prodrugs Vergell Medical S.A. (CH) 2016-12-01 US disclosed
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
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