SCHEMBL3393167

SCHEMBL3393167

CCCCCCCCC(Cc1ccc(O)c(OC)c1)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.59
CYP3A4 P08684 5/20 0.57
CYP2C9 P11712 5/20 0.57
CYP2C19 P33261 5/20 0.57
CYP2C8 P10632 4/20 0.57
CYP2B6 P20813 4/20 0.57
CYP1A2 P05177 4/20 0.57
CYP2D6 P10635 3/20 0.57
CYP2A6 P11509 2/20 0.57
LTA4H P09960 2/20 0.57
CYP2E1 P05181 1/20 0.57
TRPV1 Q8NER1 2/20 0.56
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 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
SCHEMBL1286871 1.00 HTR1A (0.59) HTR1ACYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL299310 1.00 HTR1A (0.59) HTR1ACYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL29370506 1.00 HTR1A (0.59) HTR1ACYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL28162513 1.00 HTR1A (0.59) HTR1ACYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL29549298 1.00 HTR1A (0.59) HTR1ACYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL28516417 0.99 HTR1A (0.58) HTR1ACYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL15259679 0.95 FOS (0.54) HTR1ACYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL7758057 0.93 HTR1A (0.59) HTR1ACYP3A4CYP2C9CYP2C19CYP2C8
Undecanoate SCHEMBL28382750 0.93 CYP3A4 (0.56) HTR1ACYP3A4CYP2C9CYP2C19CYP2C8
Nonanoate SCHEMBL29039816 0.93 CYP3A4 (0.56) HTR1ACYP3A4CYP2C9CYP2C19CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107656000-B Method for analyzing and identifying capsaicin compounds in capsicum oleoresin 晨光生物科技集团股份有限公司 2021-04-09 CN claimed
US-10668123-B2 Capsicum compositions and uses thereof OMNIACTIVE HEALTH TECHNOLOGIES LIMITED (IN) 2020-06-02 US disclosed
CN-107532063-B Methylmenthol derivative and cold-sensitive composition containing the same 高砂香料工业株式会社 2020-03-10 CN disclosed
EP-3094320-A1 METHODS OF USING CAPSAICIN SYNTHASE FOR THE MICROBIAL PRODUCTION OF CAPSAICINOIDS Conagen Inc. (US) 2016-11-23 EP disclosed
WO-2015109168-A1 METHODS OF USING CAPSAICIN SYNTHASE FOR THE MICROBIAL PRODUCTION OF CAPSAICINOIDS CONAGEN INC. (US) 2015-07-23 WO disclosed
EP-2184986-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING CHRONIC PAIN AND PAIN ASSOCIATED WITH NEUROPATHY Trinity Laboratories, Inc. (US) 2010-05-19 EP disclosed
WO-2009021058-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING CHRONIC PAIN AND PAIN ASSOCIATED WITH NEUROPATHY TRINITY LABORTORIES, INC. (US) 2009-02-12 WO disclosed