SCHEMBL7939628

SCHEMBL7939628

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
BLM P54132 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GLS O94925 1/20 0.50
CYP3A4 P08684 4/20 0.48
NFKB1 P19838 1/20 0.47
SLC22A3 O75751 1/20 0.46
PMP22 Q01453 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
ALOX15 P16050 2/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
TRPV1 Q8NER1 2/20 0.44
MEN1 O00255 1/20 0.44
KDM1A O60341 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL7939608 0.90 ERCC1 (0.57) TSHRBLMNPSR1GLSCYP3A4
SCHEMBL7947186 0.85 BLM (0.53) TSHRBLMNPSR1CYP3A4PMP22
SCHEMBL7939631 0.84 ERCC1 (0.54) TSHRBLMCYP3A4NFKB1KDM4E
SCHEMBL7947240 0.81 TYR (0.57) TSHRBLMNPSR1GLSKDM4E
SCHEMBL2121870 0.77 NAAA (0.59) TSHRBLMNPSR1
SCHEMBL5705007 0.77 NAAA (0.59) TSHRBLMNPSR1
SCHEMBL4876904 0.77 NAAA (0.59) TSHRBLMNPSR1
SCHEMBL7947252 0.76 ERCC1 (0.65) TRPV1
SCHEMBL13816533 0.75 TSHR (0.73) TSHRBLMNPSR1GLSCYP3A4
SCHEMBL17667848 0.75 CYP3A4 (0.60) TSHRBLMNPSR1CYP3A4PMP22

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265611-B1 USE AS ANTIOXIDANTS OR FREE-RADICAL SCAVENGERS IN COSMETICS AND PHARMACEUTICALS AND FOODS HAARMANN & REIMER GMBH (DE) 2001-07-24 US claimed
EP-1029849-A1 Hydroxymandelamides of phenolic amines HAARMANN & REIMER GMBH (DE) 2000-08-23 EP claimed
US-6265611-B1 USE AS ANTIOXIDANTS OR FREE-RADICAL SCAVENGERS IN COSMETICS AND PHARMACEUTICALS AND FOODS HAARMANN & REIMER GMBH (DE) 2001-07-24 US disclosed
EP-1029849-A1 Hydroxymandelamides of phenolic amines HAARMANN & REIMER GMBH (DE) 2000-08-23 EP disclosed