SCHEMBL7649368

SCHEMBL7649368

CCC=CCCCCC(=O)NC(C)c1ccc(O)c(OC)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.54
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 2/20 0.54
CYP2D6 P10635 2/20 0.54
HPGD P15428 2/20 0.54
KDM1A O60341 1/20 0.54
NR1I2 O75469 1/20 0.54
LMNA P02545 1/20 0.54
ALOX5 P09917 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
ALOX15 P16050 1/20 0.54
PTGS1 P23219 1/20 0.54
HTR2C P28335 1/20 0.54
MAPK1 P28482 1/20 0.54
PTGS2 P35354 1/20 0.54

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
SCHEMBL1286874 0.78 TRPV1 (0.85) TRPV1CYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL31010737 0.78 TRPV1 (0.85) TRPV1CYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL1286875 0.78 TRPV1 (0.85) TRPV1CYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL27205211 0.77 TRPV1 (0.88) TRPV1CYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL1586354 0.77 TRPV1 (0.88) TRPV1CYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL17859843 0.76 TSHR (0.51) CYP3A4LMNAGAA
SCHEMBL12634829 0.76 TRPV1 (0.71) TRPV1CYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL6418721 0.76 TSHR (0.56) CYP3A4HPGDSMN1; SMN2GAA
SCHEMBL10543855 0.75 TRPV1 (0.84) TRPV1CYP1A2CYP3A4ALDH1A1MAPT
SCHEMBL10407917 0.75 TRPV1 (0.84) TRPV1CYP1A2CYP3A4ALDH1A1MAPT

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-20020006449-A1 Method of treatment of warts and moles TERRY JAMES M (US) 2002-01-17 US disclosed
US-6235788-B1 Method for treating pre-malignant basal and squamous cell lesions of the epithelium HEMAWAY PRODUCTS, L.C. 2001-05-22 US disclosed