SCHEMBL7528872

SCHEMBL7528872

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 3/20 0.73
ERCC4 Q92889 3/20 0.73
ALDH1A1 P00352 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
BLM P54132 2/20 0.63
PMP22 Q01453 2/20 0.63
HPGD P15428 1/20 0.63
ALOX15 P16050 1/20 0.63
TRPV1 Q8NER1 2/20 0.60
TSHR P16473 2/20 0.60
GAA P10253 1/20 0.60
NFKB1 P19838 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL7529264 1.00 ERCC1 (0.73) ERCC1ERCC4ALDH1A1CYP1A2CYP3A4
SCHEMBL8168115 0.96 ALDH1A1 (0.67) ERCC1ERCC4ALDH1A1CYP1A2CYP3A4
SCHEMBL2925120 0.88 TRPV1 (0.70) ERCC1ERCC4ALDH1A1TRPV1TSHR
SCHEMBL107237 0.87 ERCC1 (0.81) ERCC1ERCC4BLMPMP22HPGD
SCHEMBL7523548 0.86 TRPV1 (0.68) ERCC1ERCC4ALDH1A1CYP1A2CYP3A4
SCHEMBL7524492 0.86 TRPV1 (0.68) ERCC1ERCC4ALDH1A1CYP1A2CYP3A4
SCHEMBL17205705 0.84 CYP1A2 (0.71) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24092698 0.83 CYP1A2 (0.66) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7932225 0.83 CYP1A2 (0.66) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL906527 0.82 CYP1A2 (0.81) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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