SCHEMBL7523933

SCHEMBL7523933

COc1cc(CNC(=O)C=Cc2ccc(O)c(O)c2)ccc1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.71
ACHE P22303 1/20 0.71
MMP9 P14780 2/20 0.65
MMP1 P03956 1/20 0.65
MMP2 P08253 1/20 0.65
TRPV1 Q8NER1 1/20 0.63
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
TSHR P16473 2/20 0.60
HSD17B10 Q99714 2/20 0.60
CYP2C19 P33261 1/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
PTGES O14684 1/20 0.60
HDAC3 O15379 1/20 0.60
CA12 O43570 1/20 0.60
DYRK3 O43781 1/20 0.60
PLIN1 O60240 1/20 0.60
KDM1A O60341 1/20 0.60
USP2 O75604 1/20 0.60

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
SCHEMBL7523925 1.00 TYR (0.71) TYRACHEMMP9MMP1MMP2
SCHEMBL7521409 0.95 TYR (0.79) TYRACHEMMP9TRPV1CYP2D6
SCHEMBL7521416 0.95 TYR (0.79) TYRACHEMMP9TRPV1CYP2D6
SCHEMBL1916293 0.95 TYR (0.73) TYRACHEMMP9TRPV1CYP2D6
SCHEMBL12299018 0.95 TYR (0.73) TYRACHEMMP9TRPV1CYP2D6
SCHEMBL12246735 0.91 TYR (0.63) TYRACHEMMP9TRPV1CYP2D6
SCHEMBL7531081 0.90 MMP1 (0.65) TYRACHEMMP9MMP1MMP2
SCHEMBL7531089 0.90 MMP1 (0.65) TYRACHEMMP9MMP1MMP2
SCHEMBL802713 0.90 ABCB1 (0.65) TYRACHEMMP9TRPV1HDAC3
SCHEMBL2847215 0.89 TYR (0.61) TYRACHEMMP9TRPV1HDAC3

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