SCHEMBL21935558

SCHEMBL21935558

O=C(c1ccc(O)c(O)c1)c1c(O)c(O)cc(O)c1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.58
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
CA7 P43166 4/20 0.58
CA9 Q16790 4/20 0.58
CA14 Q9ULX7 4/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 2/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
PTGS2 P35354 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SIRT1 Q96EB6 1/20 0.53
HDAC6 Q9UBN7 1/20 0.52
SYNJ2 O15056 1/20 0.51
DBH P09172 1/20 0.50
RECQL P46063 1/20 0.50
XDH P47989 1/20 0.50

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
SCHEMBL4245199 0.90 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL19003452 0.89 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL10589365 0.86 FASN (0.62) CA12CA1CA2CA7CA9
SCHEMBL1758192 0.85 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL26441551 0.83 MAPT (0.53) CA12CA1CA2CA7CA9
SCHEMBL724972 0.82 KDM4E (0.59) CA12CA1CA2CA7CA9
SCHEMBL26441561 0.81 MAPT (0.52) CA12CA1CA2CA7CA9
SCHEMBL19003399 0.80 CA12 (0.56) CA12CA1CA2CA7CA9
Maclurin SCHEMBL758337 0.80 SYNJ2 (0.69) CA12CA1CA2CA7CA9
SCHEMBL8861251 0.80 CA12 (0.56) CA12CA1CA2CA7CA9

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