SCHEMBL7947252

SCHEMBL7947252

O=C(NCc1ccc(O)c(O)c1)C(O)c1ccc(O)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 13/20 0.65
ERCC4 Q92889 13/20 0.65
TRPV1 Q8NER1 2/20 0.47
LCK P06239 1/20 0.46
ALPG P10696 1/20 0.46

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
SCHEMBL7939631 0.91 ERCC1 (0.54) ERCC1ERCC4
SCHEMBL6364316 0.88 ERCC1 (0.72) ERCC1ERCC4
SCHEMBL7939608 0.87 ERCC1 (0.57) ERCC1ERCC4TRPV1
SCHEMBL7947186 0.87 BLM (0.53) ERCC1ERCC4TRPV1
SCHEMBL7939648 0.85 MAPT (0.59) ERCC1ERCC4TRPV1ALPG
SCHEMBL28368385 0.81 ERCC1 (0.79) ERCC1ERCC4TRPV1LCKALPG
SCHEMBL14163016 0.79 ERCC1 (1.00) ERCC1ERCC4TRPV1LCKALPG
SCHEMBL7163533 0.77 KDM4E (0.41)
SCHEMBL175299 0.76 ERCC1 (0.66) ERCC1ERCC4TRPV1LCKALPG
SCHEMBL107288 0.76 ERCC1 (0.66) ERCC1ERCC4TRPV1ALPG

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