Capsaicin

Capsaicin

SCHEMBL6905200

COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O.COc1cc(CNC(=O)CCCC/C=C\C(C)C)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TRPV1

The experimentally established mechanism targets of Capsaicin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 known ✓ Q8NER1 9/20 1.00
CYP1A2 P05177 5/20 1.00
CYP3A4 P08684 5/20 1.00
ALDH1A1 P00352 4/20 1.00
CYP2D6 P10635 4/20 1.00
MAPT P10636 3/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
CYP2C9 P11712 3/20 1.00
CYP2C19 P33261 3/20 1.00
TP53 P04637 2/20 1.00
ALOX15 P16050 2/20 1.00
KDM1A O60341 1/20 1.00
NR1I2 O75469 1/20 1.00
LMNA P02545 1/20 1.00
ALOX5 P09917 1/20 1.00
ADORA3 P0DMS8 1/20 1.00
PTGS1 P23219 1/20 1.00
HTR2C P28335 1/20 1.00
MAPK1 P28482 1/20 1.00

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
Zucapsaicin SCHEMBL41210 1.00 TRPV1 (1.00) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Zucapsaicin SCHEMBL29787104 1.00 TRPV1 (1.00) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL8085 1.00 TRPV1 (1.00) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL8086 1.00 TRPV1 (1.00) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL29370401 1.00 TRPV1 (1.00) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL4302468 1.00 TRPV1 (1.00) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL10956845 1.00 TRPV1 (1.00) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL6065297 1.00 TRPV1 (1.00) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL29473408 1.00 TRPV1 (1.00) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL16309566 0.99 TRPV1 (0.98) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689399-B1 CAPSACINOID IN CONJUNCTION WITH GLUCOSAMINE AT A HIGH CONCENTRATION, SYNERGISTIC; PROLONGED PAIN RELIEF EFFECT IS ACHIEVED WITHOUT INTENSE BURNING OR STINGING SENSATION USUALLY ASSOCIATED WITH TOPICAL CAPSAICIN AVENTIS PHARMACEUTICALS INC. 2004-02-10 US disclosed