SCHEMBL7531089

SCHEMBL7531089

COc1cc(CNC(=O)C=Cc2ccc(O)c(O)c2)cc(OC)c1O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.65
MMP2 P08253 2/20 0.65
MMP9 P14780 2/20 0.65
TYR P14679 2/20 0.61
ACHE P22303 1/20 0.61
TRPV1 Q8NER1 1/20 0.57
APP P05067 1/20 0.56

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
SCHEMBL7531081 1.00 MMP1 (0.65) MMP1MMP2MMP9TYRACHE
SCHEMBL7523933 0.90 TYR (0.71) MMP1MMP2MMP9TYRACHE
SCHEMBL7523925 0.90 TYR (0.71) MMP1MMP2MMP9TYRACHE
SCHEMBL7523449 0.88 TYR (0.65) MMP1MMP2MMP9TYRACHE
SCHEMBL7523461 0.88 TYR (0.65) MMP1MMP2MMP9TYRACHE
SCHEMBL7526109 0.85 TYR (0.70) MMP9TYRACHETRPV1APP
SCHEMBL7526101 0.85 TYR (0.70) MMP9TYRACHETRPV1APP
SCHEMBL7521416 0.85 TYR (0.79) MMP9TYRACHETRPV1APP
SCHEMBL7521409 0.85 TYR (0.79) MMP9TYRACHETRPV1APP
SCHEMBL12299018 0.85 TYR (0.73) MMP9TYRACHETRPV1APP

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