SCHEMBL11030989

SCHEMBL11030989

CCCSP(=O)(OCC)Oc1ccc(S(=O)(=O)c2ccc(OP(=O)(OCC)SCCC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA12 O43570 3/20 0.42
CA4 P22748 3/20 0.42
CA5A P35218 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
PKM P14618 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11756213 0.95 CA12 (0.47) CA1CA2CA12CA4CA5A
SCHEMBL11760617 0.94 MEN1 (0.40) CA1CA2CA12CA4CA5A
SCHEMBL11338819 0.88 CA1 (0.40) CA1CA2CA12CA4CA5A
SCHEMBL11664920 0.84 CA1 (0.38) CA1CA2CA12CA4CA5A
SCHEMBL11664323 0.84 CA1 (0.36) CA1CA2CA12CA4CA5A
SCHEMBL11330947 0.83 TDP1 (0.41) CA1CA2CA12CA4CA5A
SCHEMBL11338804 0.83 CA1 (0.38) CA1CA2CA12CA4CA5A
SCHEMBL11345002 0.83 CA12 (0.45) CA1CA2CA12CA4CA5A
SCHEMBL11341828 0.83 ENPP1 (0.43) CA1CA2CA12CA4CA5A
SCHEMBL11662772 0.83 ENPP1 (0.43) CA1CA2CA12CA4CA5A

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
US-4457922-A INSECTICIDES, MITICIDES UNION CARBIDE CORPORATION (US) 1984-07-03 US disclosed