SCHEMBL7523449

SCHEMBL7523449

COc1cc(/C=C/C(=O)NCc2ccc(O)c(O)c2)cc(OC)c1O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.65
ACHE P22303 1/20 0.65
MET P08581 1/20 0.63
ALOX5 P09917 1/20 0.61
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
HPGD P15428 2/20 0.57
POLB P06746 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55

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
SCHEMBL7523461 1.00 TYR (0.65) TYRACHEMETALOX5KDM4E
SCHEMBL4650349 0.92 MET (0.56) TYRACHEMETALOX5KDM4E
SCHEMBL7521409 0.90 TYR (0.79) TYRACHEMETALOX5KDM4E
SCHEMBL7521416 0.90 TYR (0.79) TYRACHEMETALOX5KDM4E
SCHEMBL7531089 0.88 MMP1 (0.65) TYRACHEMMP1MMP2MMP9
SCHEMBL7531081 0.88 MMP1 (0.65) TYRACHEMMP1MMP2MMP9
SCHEMBL7523933 0.85 TYR (0.71) TYRACHEALOX5KDM4EALDH1A1
SCHEMBL7523925 0.85 TYR (0.71) TYRACHEALOX5KDM4EALDH1A1
SCHEMBL1916293 0.85 TYR (0.73) TYRACHEALOX5KDM4EALDH1A1
SCHEMBL12299018 0.85 TYR (0.73) TYRACHEALOX5KDM4EALDH1A1

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