SCHEMBL21936712

SCHEMBL21936712

O=C(c1cccc(O)c1)c1c(O)c(O)c(O)c(O)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.66
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA6 P23280 1/20 0.59
CA9 Q16790 1/20 0.59
DYRK1A Q13627 5/20 0.58
CLK1 P49759 4/20 0.58
DYRK1B Q9Y463 3/20 0.58
PARP1 P09874 1/20 0.57
KDM4E B2RXH2 2/20 0.53
EGLN2 Q96KS0 1/20 0.53
ALDH1A1 P00352 1/20 0.52
CYP2C19 P33261 1/20 0.50
HSD17B1 P14061 6/20 0.49
HSD17B2 P37059 5/20 0.49
STS P08842 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SIRT1 Q96EB6 1/20 0.47

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
SCHEMBL21935597 0.88 FASN (0.68) FASNCA12CA1CA2CA6
SCHEMBL29699163 0.86 FASN (0.76) FASNCA12CA1CA2CA6
SCHEMBL809540 0.86 FASN (0.76) FASNCA12CA1CA2CA6
SCHEMBL8861241 0.83 FASN (0.66) FASNCA12CA1CA2CA6
SCHEMBL2315545 0.81 FASN (0.65) FASNCA12CA1CA2CA6
SCHEMBL8861197 0.80 FASN (0.74) FASNCA12CA1CA2CA6
SCHEMBL144795 0.80 ATM (0.74) FASNCA12CA1CA2CA6
SCHEMBL20533600 0.79 FASN (1.00) FASNCA12CA1CA2CA6
SCHEMBL7781091 0.79 FASN (0.66) FASNCA12CA1CA2CA6
SCHEMBL189236 0.78 CLK1 (0.75) FASNCA12CA1CA2CA6

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