SCHEMBL28306080

SCHEMBL28306080

O=C(NCCc1ccc(O)c(O)c1)c1ccc(O)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.67
PTGS1 P23219 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59
BLM P54132 1/20 0.59
HIF1A Q16665 1/20 0.59
HSD17B10 Q99714 1/20 0.59
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
ALPL P05186 1/20 0.54
CA7 P43166 1/20 0.54
CA14 Q9ULX7 1/20 0.54
APP P05067 1/20 0.53
CA12 O43570 1/20 0.53

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
SCHEMBL30259817 0.89 ESRRG (0.59) ALOX15PTGS1ALDH1A1KDM4EMAPT
SCHEMBL898314 0.85 ALOX15 (0.62) ALOX15ALDH1A1ALPLGFER
SCHEMBL29535664 0.85 ALOX15 (0.62) ALOX15ALDH1A1ALPLGFER
SCHEMBL898238 0.84 ALOX5 (0.58) ACHESYK
SCHEMBL29561675 0.84 ALOX5 (0.58) ACHESYK
SCHEMBL6262760 0.84 ALOX15 (0.66) ALOX15PTGS1ALDH1A1KDM4ELMNA
SCHEMBL23796818 0.82 LCK (0.62) PTGS1ALDH1A1KDM4ELMNAMAPT
SCHEMBL23484439 0.82 ALDH1A1 (0.69) ALOX15PTGS1ALDH1A1KDM4ELMNA
SCHEMBL30259890 0.81 ALDH1A1 (0.65) ALDH1A1HPGDAPPESRRGESRRB
SCHEMBL31241191 0.81 MAPT (0.60) ALOX15PTGS1ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110022870-A Composition comprising benzoic acid amide compound and solubilizer 株式会社爱茉莉太平洋 2019-07-16 CN disclosed