SCHEMBL27763142

SCHEMBL27763142

COc1ccc(C(I)S(=O)(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
ACHE P22303 1/20 0.46
PKM P14618 3/20 0.45
ACP3 P15309 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
GAA P10253 1/20 0.43
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8469671 0.78 CA1 (0.47) CA1CA2ACHEPKMACP3
SCHEMBL27622144 0.78 CA1 (0.51) CA1CA2ACHEPKMACP3
SCHEMBL2388659 0.77 CA1 (0.50) CA1CA2ACHEPKMACP3
SCHEMBL28348396 0.77 PKM (0.50) CA1CA2ACHEPKMMMP1
Sulfuric Acid SCHEMBL22498737 0.74 CA1 (0.51) CA1CA2ACHEPKMACP3
SCHEMBL28807825 0.74 SRC (0.62) CA1CA2ACHEACP3ALDH1A1
SCHEMBL10402675 0.74 CA1 (0.44) CA1CA2ACHEPKMACP3
SCHEMBL10404138 0.74 CA1 (0.44) CA1CA2ACHEPKMACP3
SCHEMBL2723009 0.73 ALDH1A1 (0.46) CA1CA2ACHEPKMACP3
SCHEMBL10402676 0.73 CA1 (0.42) CA1CA2ACHEPKMACP3

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
CN-100565338-C What comprise the Photoactive compounds potpourri is used for the lithographic photoetching compositions of deep ultraviolet AZ ELECTRONIC MATERIALS JAPAN (JP) 2009-12-02 CN disclosed