SCHEMBL7523548

SCHEMBL7523548

COc1cc(CNC(=O)CCc2ccc(O)c(O)c2)ccc1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.68
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2D6 P10635 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
BLM P54132 2/20 0.67
PMP22 Q01453 2/20 0.67
ALDH1A1 P00352 1/20 0.67
HPGD P15428 1/20 0.67
ALOX15 P16050 1/20 0.67
ERCC1 P07992 1/20 0.65
ERCC4 Q92889 1/20 0.65
ALOX5 P09917 1/20 0.64
OR51E2 Q9H255 1/20 0.64
MEN1 O00255 1/20 0.63
POLB P06746 1/20 0.63
TSHR P16473 1/20 0.63
KMT2A Q03164 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63

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
SCHEMBL7524492 1.00 TRPV1 (0.68) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2378930 0.90 MEN1 (0.65) TRPV1ALOX5OR51E2MEN1KMT2A
SCHEMBL5958230 0.88 TRPV1 (0.63) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL108102 0.87 ERCC1 (0.82) TRPV1ERCC1ERCC4
SCHEMBL5957998 0.87 MEN1 (0.77) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5957910 0.87 TRPV1 (0.68) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7528872 0.86 ERCC1 (0.73) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7529264 0.86 ERCC1 (0.73) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5348698 0.85 CYP1A2 (0.90) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL906527 0.85 CYP1A2 (0.81) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900781-B1 Phenolic acid amides of hydroxy substituted benzylamines HAARMANN & REIMER GMBH (DE) 2002-03-20 EP claimed
US-6117365-A N-(3,4-DIHYDROXYBENZYL)-3,5-DIMETHOXY-4-HYDROXY-E-CINNAMIDE, FOR EXAMPLE; USE AS ANTIOXIDANTS OR AS FREE-RADICAL SCAVENGERS, IN PARTICULAR IN THE COSMETIC OR DERMATOLOGICAL FIELDS, AND IN FOODS HAARMANN & REIMER GMBH (DE) 2000-09-12 US claimed
EP-0900781-A2 Phenolic acid amides of hydroxy substituted benzylamines HAARMANN & REIMER GMBH (DE) 1999-03-10 EP claimed
EP-0900781-B1 Phenolic acid amides of hydroxy substituted benzylamines HAARMANN & REIMER GMBH (DE) 2002-03-20 EP disclosed
US-6117365-A N-(3,4-DIHYDROXYBENZYL)-3,5-DIMETHOXY-4-HYDROXY-E-CINNAMIDE, FOR EXAMPLE; USE AS ANTIOXIDANTS OR AS FREE-RADICAL SCAVENGERS, IN PARTICULAR IN THE COSMETIC OR DERMATOLOGICAL FIELDS, AND IN FOODS HAARMANN & REIMER GMBH (DE) 2000-09-12 US disclosed
EP-0900781-A2 Phenolic acid amides of hydroxy substituted benzylamines HAARMANN & REIMER GMBH (DE) 1999-03-10 EP disclosed