SCHEMBL7939631

SCHEMBL7939631

O=C(NCc1cc(O)c(O)c(O)c1)C(O)c1ccc(O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 7/20 0.54
ERCC4 Q92889 7/20 0.54
TDP1 Q9NUW8 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 3/20 0.40
CYP1A2 P05177 2/20 0.40
ADRB2 P07550 2/20 0.40
TSHR P16473 2/20 0.40
HIF1A Q16665 2/20 0.40
YARS1 P54577 1/20 0.40
SLC6A2 P23975 1/20 0.40
SELL P14151 1/20 0.40
SELP P16109 1/20 0.40
SELE P16581 1/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7947252 0.91 ERCC1 (0.65) ERCC1ERCC4
SCHEMBL7939628 0.84 TSHR (0.57) KDM4EHSD17B10MAPTCYP1A2TSHR
SCHEMBL7939648 0.79 MAPT (0.59) ERCC1ERCC4KDM4EHSD17B10MAPT
SCHEMBL6364316 0.79 ERCC1 (0.72) ERCC1ERCC4KDM4ETSHRGAA
SCHEMBL7947186 0.79 BLM (0.53) ERCC1ERCC4KDM4EHSD17B10MAPT
SCHEMBL7939608 0.79 ERCC1 (0.57) ERCC1ERCC4KDM4EHSD17B10MAPT
SCHEMBL7163533 0.75 KDM4E (0.41) TDP1KDM4EHSD17B10MAPTCYP1A2
SCHEMBL28368385 0.72 ERCC1 (0.79) ERCC1ERCC4KDM4EHSD17B10MAPT
SCHEMBL4878027 0.71 NAAA (0.66) HSD17B10MAPTMEN1KMT2A
SCHEMBL7084564 0.71 NAAA (0.66) HSD17B10MAPTMEN1KMT2A

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