SCHEMBL7939648

SCHEMBL7939648

O=C(NCCc1ccc(O)c(O)c1)C(O)c1ccc(O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
HSD17B10 Q99714 3/20 0.59
HIF1A Q16665 2/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
HPGD P15428 2/20 0.59
BLM P54132 2/20 0.59
PTGS1 P23219 1/20 0.59
GLI1 P08151 1/20 0.52
GLI2 P10070 1/20 0.52
APP P05067 1/20 0.50
HDAC8 Q9BY41 1/20 0.49
TRPV1 Q8NER1 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ERCC1 P07992 2/20 0.49
ERCC4 Q92889 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL7947240 0.87 TYR (0.57) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL7947252 0.85 ERCC1 (0.65) TRPV1ERCC1ERCC4ALPG
SCHEMBL5053837 0.82 MAPT (0.67) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL4949922 0.82 MAPT (0.67) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL9965254 0.80 ERCC1 (0.71) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL7939631 0.79 ERCC1 (0.54) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL7364941 0.78 MAPT (0.65) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL28976208 0.78 MAPT (0.65) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL1123655 0.78 MAPT (0.65) MAPTHSD17B10HIF1AKDM4EALDH1A1
SCHEMBL31475411 0.78 MAPT (0.65) MAPTHSD17B10HIF1AKDM4EALDH1A1

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