SCHEMBL28291811

SCHEMBL28291811

O=S(=O)(c1ccc(OCc2ccccc2)cc1)c1ccccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.63
CA9 Q16790 4/20 0.63
CA1 P00915 3/20 0.63
CA2 P00918 3/20 0.63
CA4 P22748 1/20 0.63
CA5A P35218 1/20 0.63
CA7 P43166 1/20 0.63
CA5B Q9Y2D0 1/20 0.63
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HIF1A Q16665 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
PTGES2 Q9H7Z7 1/20 0.55
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL1790576 0.95 CA12 (0.56) CA12CA9CA1CA2CA4
SCHEMBL1791486 0.92 CA12 (0.52) CA12CA9CA1CA2CA4
SCHEMBL1791924 0.87 MMP2 (0.48) CA12CA9CA1CA2CA4
SCHEMBL1793545 0.84 ALDH1A1 (0.45) CA12CA9CA1CA2CA4
SCHEMBL1794276 0.84 MMP2 (0.50) CA12CA9CA1CA2CA4
SCHEMBL419556 0.84 LMNA (0.73) CA12CA9CA1CA2CA4
SCHEMBL7108878 0.84 CA12 (0.74) CA12CA9CA1CA2CA4
SCHEMBL7752409 0.84 CA12 (0.60) CA12CA9CA1CA2CA4
SCHEMBL7761854 0.84 CA12 (0.60) CA12CA9CA1CA2CA4
SCHEMBL1793050 0.83 MMP2 (0.49) CA12CA9CA1CA2CA4

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
CN-110234515-A recording material and recording sheet 日本曹达株式会社 2019-09-13 CN disclosed
CN-109641472-A Recording materials and recording sheet 日本曹达株式会社 2019-04-16 CN disclosed