SCHEMBL7947186

SCHEMBL7947186

COc1cc(CNC(=O)C(O)c2ccc(O)c(O)c2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TSHR P16473 2/20 0.53
ERCC1 P07992 1/20 0.53
ERCC4 Q92889 1/20 0.53
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2D6 P10635 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
ALDH1A1 P00352 3/20 0.52
PMP22 Q01453 2/20 0.52
ALOX15 P16050 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.52
POLB P06746 1/20 0.52
TRPV1 Q8NER1 3/20 0.52
KDM1A O60341 1/20 0.52
NR1I2 O75469 1/20 0.52

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 0.95 ERCC1 (0.57) BLMNPSR1TSHRERCC1ERCC4
SCHEMBL7947252 0.87 ERCC1 (0.65) ERCC1ERCC4TRPV1
SCHEMBL7939628 0.85 TSHR (0.57) BLMNPSR1TSHRCYP1A2CYP3A4
SCHEMBL7947240 0.83 TYR (0.57) BLMNPSR1TSHRALDH1A1ALOX15
SCHEMBL17667848 0.83 CYP3A4 (0.60) BLMNPSR1TSHRERCC1ERCC4
SCHEMBL4947604 0.83 CYP3A4 (0.60) BLMNPSR1TSHRERCC1ERCC4
SCHEMBL8108684 0.82 ALOX15 (0.59) BLMNPSR1TSHRERCC1ERCC4
SCHEMBL5197621 0.79 CYP1A2 (0.59) BLMNPSR1TSHRERCC1ERCC4
SCHEMBL7939631 0.79 ERCC1 (0.54) BLMTSHRERCC1ERCC4CYP1A2
SCHEMBL29224597 0.78 ERCC1 (0.74) BLMNPSR1TSHRERCC1ERCC4

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