SCHEMBL6635889

SCHEMBL6635889

COc1cc(CCC(C)C=CCCCCC(N)=O)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.60
CYP1A2 P05177 6/20 0.60
CYP3A4 P08684 6/20 0.60
CYP2D6 P10635 4/20 0.60
CYP2C9 P11712 4/20 0.60
CYP2C19 P33261 4/20 0.60
ALOX5 P09917 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
TP53 P04637 2/20 0.60
MAPK1 P28482 2/20 0.60
KDM1A O60341 1/20 0.60
NR1I2 O75469 1/20 0.60
LMNA P02545 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
ALOX15 P16050 1/20 0.60
PTGS1 P23219 1/20 0.60
HTR2C P28335 1/20 0.60

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
SCHEMBL4155154 0.84 HTR1A (0.64) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23205718 0.81 CYP3A4 (0.69) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4410689 0.81 TRPV1 (0.51) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14211614 0.80 HTR1A (0.57) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5353374 0.80 HTR1A (0.61) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL906528 0.80 ALOX5 (0.67) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9753418 0.79 TRPV1 (0.54) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2683415 0.78 ALOX5 (0.66) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28378162 0.78 ALOX5 (0.66) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11575857 0.78 ALOX5 (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015418-B1 DENATONIUM CAPSAICINATE AND METHODS OF PRODUCING THE SAME BURLINGTON BIO MED & SCIENT (US) 2004-05-26 EP disclosed
EP-1015418-A1 DENATONIUM CAPSAICINATE AND METHODS OF PRODUCING THE SAME Burlington Bio-Medical & Scientific Corp. (US) 2000-07-05 EP disclosed
WO-1999015495-A1 DENATONIUM CAPSAICINATE AND METHODS OF PRODUCING THE SAME BURLINGTON BIO-MEDICAL & SCIENTIFIC CORP. (US) 1999-04-01 WO disclosed