SCHEMBL28400950

SCHEMBL28400950

CCCCCCC(Cc1ccc(O)c(OC)c1)C(=O)NCc1ccc(O)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.66
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65
BLM P54132 2/20 0.65
PMP22 Q01453 2/20 0.65
ALDH1A1 P00352 1/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
MEN1 O00255 1/20 0.58
POLB P06746 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL10065533 0.86 TRPV1 (0.71) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7795391 0.86 TRPV1 (0.71) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5047559 0.85 HTR1A (0.60) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22462684 0.85 HTR1A (0.60) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5047574 0.85 HTR1A (0.60) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5051127 0.85 HTR1A (0.60) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL299310 0.84 HTR1A (0.59) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29370506 0.84 HTR1A (0.59) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29549298 0.84 HTR1A (0.59) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1286871 0.84 HTR1A (0.59) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110168038-B Methyl menthol derivative and cold sensate composition containing same 高砂香料工业株式会社 2022-05-27 CN claimed
CN-111212884-A Cold-sensitive composition containing 2,2, 6-trimethylcyclohexanecarboxylic acid derivative 高砂香料工业株式会社 2020-05-29 CN claimed
CN-110168038-B Methyl menthol derivative and cold sensate composition containing same 高砂香料工业株式会社 2022-05-27 CN disclosed
CN-111212884-A Cold-sensitive composition containing 2,2, 6-trimethylcyclohexanecarboxylic acid derivative 高砂香料工业株式会社 2020-05-29 CN disclosed