SCHEMBL16309566

SCHEMBL16309566

COc1cc(CNC(=O)CCCCCC/C=C/C(C)C)ccc1O

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.98
CYP1A2 P05177 5/20 0.98
CYP3A4 P08684 5/20 0.98
ALDH1A1 P00352 4/20 0.98
CYP2D6 P10635 4/20 0.98
MEN1 O00255 3/20 0.98
KMT2A Q03164 3/20 0.98
MAPT P10636 3/20 0.98
CYP2C9 P11712 3/20 0.98
CYP2C19 P33261 3/20 0.98
TP53 P04637 2/20 0.98
ALOX15 P16050 2/20 0.98
KDM1A O60341 1/20 0.98
NR1I2 O75469 1/20 0.98
LMNA P02545 1/20 0.98
ALOX5 P09917 1/20 0.98
ADORA3 P0DMS8 1/20 0.98
PTGS1 P23219 1/20 0.98
HTR2C P28335 1/20 0.98
MAPK1 P28482 1/20 0.98

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
SCHEMBL1878909 1.00 TRPV1 (0.98) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL29819433 1.00 TRPV1 (0.98) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL1878911 1.00 TRPV1 (0.98) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL31182202 1.00 TRPV1 (0.98) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL29370401 0.99 TRPV1 (1.00) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL10956845 0.99 TRPV1 (1.00) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL4302468 0.99 TRPV1 (1.00) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Zucapsaicin SCHEMBL29787104 0.99 TRPV1 (1.00) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL6065297 0.99 TRPV1 (1.00) TRPV1CYP1A2CYP3A4ALDH1A1CYP2D6
Capsaicin SCHEMBL29473408 0.99 TRPV1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376521-B2 Polymer composition with saliva labile aversive agent GLOBALFOUNDRIES INC. (KY) 2016-06-28 US disclosed
US-20140371411-A1 POLYMER COMPOSITION WITH SALIVA LABILE AVERSIVE AGENT GLOBALFOUNDRIES U.S. INC. 2014-12-18 US disclosed