SCHEMBL9261806

SCHEMBL9261806

[c]1cccc(Oc2cccc(Oc3ccccc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
LTA4H P09960 3/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MITF O75030 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
NLRP1 Q9C000 1/20 0.45
NOD2 Q9HC29 1/20 0.45
AKR1C3 P42330 1/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NLRP3 Q96P20 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL61732 0.92 LTA4H (0.57) MAOBLTA4HTSHRMEN1KMT2A
SCHEMBL28072263 0.90 LTA4H (0.55) MAOBLTA4HTSHRMEN1KMT2A
SCHEMBL4908876 0.87 FFAR4 (0.42) MAOBLTA4HTSHRGAAAKR1C3
SCHEMBL27493063 0.86 LTA4H (0.50) MAOBLTA4HTSHRMEN1KMT2A
SCHEMBL8155454 0.85 LTA4H (0.43) MAOBLTA4HTSHRMEN1KMT2A
SCHEMBL920806 0.85 SMN1; SMN2 (0.53) MAOBLTA4HMEN1KMT2AALDH1A1
Magnesium Chloride Anhydrous SCHEMBL27958970 0.84 LTA4H (0.48) MAOBLTA4HTSHRMEN1KMT2A
SCHEMBL27958951 0.84 LTA4H (0.48) MAOBLTA4HTSHRMEN1KMT2A
SCHEMBL4914064 0.84 MAOB (0.55) MAOBMEN1KMT2AMAOA
SCHEMBL28263208 0.82 LTA4H (0.46) LTA4HTSHRNPC1RAB9ANR1H2

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
US-5464569-A In situ formation of alkali metal oxalates in polyphenylene ether basestock MONSANTO COMPANY (US) 1995-11-07 US disclosed