SCHEMBL7526101

SCHEMBL7526101

COc1cc(/C=C/C(=O)NCc2cc(O)c(O)c(O)c2)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.70
ACHE P22303 1/20 0.68
TRPV1 Q8NER1 1/20 0.67
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
TSHR P16473 2/20 0.64
HSD17B10 Q99714 2/20 0.64
HDAC3 O15379 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
BACE1 P56817 2/20 0.64
CYP2C19 P33261 1/20 0.64
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
PTGES O14684 1/20 0.64
CA12 O43570 1/20 0.64
DYRK3 O43781 1/20 0.64
PLIN1 O60240 1/20 0.64
KDM1A O60341 1/20 0.64

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
SCHEMBL7526109 1.00 TYR (0.70) TYRACHETRPV1CYP2D6CYP2C9
SCHEMBL7521416 0.90 TYR (0.79) TYRACHETRPV1CYP2D6CYP2C9
SCHEMBL7521409 0.90 TYR (0.79) TYRACHETRPV1CYP2D6CYP2C9
SCHEMBL1916293 0.90 TYR (0.73) TYRACHETRPV1CYP2D6CYP2C9
SCHEMBL12299018 0.90 TYR (0.73) TYRACHETRPV1CYP2D6CYP2C9
SCHEMBL14164369 0.88 TYR (0.70) TYRACHETRPV1CYP2D6CYP2C9
SCHEMBL7523933 0.85 TYR (0.71) TYRACHETRPV1CYP2D6CYP2C9
SCHEMBL7531081 0.85 MMP1 (0.65) TYRACHETRPV1APPMMP9
SCHEMBL7531089 0.85 MMP1 (0.65) TYRACHETRPV1APPMMP9
SCHEMBL7523925 0.85 TYR (0.71) TYRACHETRPV1CYP2D6CYP2C9

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-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
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