SCHEMBL21936713

SCHEMBL21936713

O=C(c1c(O)cccc1O)c1c(O)cc(O)c(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA12 O43570 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
THRB P10828 2/20 0.45
FASN P49327 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
CDK2 P24941 2/20 0.40
RECQL P46063 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
INPPL1 O15357 1/20 0.40
NSD2 O96028 1/20 0.40
TP53 P04637 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
SCHEMBL7896049 0.87 FFAR1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL21935553 0.85 HDAC1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL21935867 0.84 FFAR1 (0.43) CA1CA2CA12CA7CA9
SCHEMBL21935596 0.84 FFAR1 (0.43) CA1CA2CA12CA7CA9
SCHEMBL21935919 0.83 FASN (0.58) THRBFASNALDH1A1HPGDRECQL
SCHEMBL21935592 0.82 TERT (0.50) CA1CA2CA12CA7CA9
SCHEMBL8861200 0.82 CA2 (0.65) CA1CA2CA12CA7CA9
SCHEMBL9638514 0.80 FASN (0.60) CA1CA2CA12CA7CA9
SCHEMBL7896024 0.79 ALDH1A1 (0.52) FASNALDH1A1RECQLHSD17B10TDP1
SCHEMBL29727844 0.79 ALDH1A1 (0.52) FASNALDH1A1RECQLHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894887-B2 Composition for forming film protecting against aqueous hydrogen peroxide solution NISSAN CHEMICAL CORPORATION (JP) 2021-01-19 US disclosed
US-20200131376-A1 COMPOSITION FOR FORMING FILM PROTECTING AGAINST AQUEOUS HYDROGEN PEROXIDE SOLUTION NISSAN CHEMICAL CORPORATION (JP) 2020-04-30 US disclosed