SCHEMBL2800439

SCHEMBL2800439

CCCCCCCCCCNCc1ccc(O)c(OC)c1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
HPGD P15428 1/20 0.64
ALOX15 P16050 1/20 0.64
CYP2C19 P33261 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64

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
SCHEMBL598034 1.00 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22788513 1.00 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1042189 0.99 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL906529 0.94 KDM4E (0.60) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5351451 0.92 TRPV1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL5537900 0.92 TRPV1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2D6HPGD
Undecanoate SCHEMBL28314051 0.90 CYP1A2 (0.67) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29442241 0.90 KDM4E (0.61)
SCHEMBL29207410 0.89 TRPV1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL8605990 0.89 S1PR2 (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110168038-A Methyl menthol derivative and cold feeling agent composition containing it 高砂香料工业株式会社 2019-08-23 CN claimed
CN-107532063-A Methyl menthol derivative and the cooling agent composition containing it 高砂香料工业株式会社 2018-01-02 CN claimed
CN-111647537-B Salt-tolerant capsaicin degrading bacteria, application and kitchen waste treatment method 浙江工业大学 2022-04-26 CN disclosed
CN-111647536-B High-temperature-resistant capsaicin degrading bacteria, application and kitchen waste treatment method 浙江工业大学 2022-03-08 CN disclosed
CN-110168038-A Methyl menthol derivative and cold feeling agent composition containing it 高砂香料工业株式会社 2019-08-23 CN disclosed
CN-107532063-A Methyl menthol derivative and the cooling agent composition containing it 高砂香料工业株式会社 2018-01-02 CN disclosed
CN-106456588-A Methods of using capsaicin synthase for the microbial production of capsaicinoids 科纳根公司 2017-02-22 CN disclosed
CN-101503369-B Method for preparing vanillic amide compounds through interfacial reaction UNIV EAST CHINA NORMAL 2012-05-23 CN disclosed
CN-101973903-A Method for synthesizing capsaicin homolog UNIV ZHEJIANG 2011-02-16 CN disclosed
CN-101774940-A Para-N-(4-hydroxyl-3-methoxy benzyl)-8-methyl-5-nonene amide and method for preparing same UNIV ZHEJIANG 2010-07-14 CN disclosed
CN-101774939-A Trans-N-(4- hydroxyl-3-methoxybenzy)-8-methyl-5-nonenamide and preparation method thereof UNIV ZHEJIANG 2010-07-14 CN disclosed
US-20100166895-A1 Capsicum extract for treatment of skin cancer LOURO FRANCISCO SILVIERA 2010-07-01 US disclosed
CN-101503369-A Method for preparing vanillyl acidamide compounds by interfacial reaction UNIV EAST CHINA NORMAL (CN) 2009-08-12 CN disclosed
EP-0891966-B1 Method for industrial purification of capsaicin ALPS PHARMACEUTICAL IND CO LTD (JP) 2003-04-16 EP disclosed
US-5955631-A Method for industrial purification of capsaicin ALPS PHARMACEUTICAL IND. CO., LTD. (JP) 1999-09-21 US disclosed
EP-0891966-A2 Method for industrial purification of capsaicin ALPS PHARMACEUTICAL IND. CO. LTD. (JP) 1999-01-20 EP disclosed