SCHEMBL331009

SCHEMBL331009

CCCC[N+](c1ccccc1)(c1ccccc1)c1ccccc1.CCCS(=O)(=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PABPC1 P11940 1/20 0.35
EIF4H Q15056 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL330899 0.92 TDP1 (0.39) TDP1SMN1; SMN2CA12CA2CA9
SCHEMBL332216 0.88 TDP1 (0.39) TDP1SMN1; SMN2CES2CES1PTGS2
SCHEMBL330745 0.85 PSIP1 (0.39) BBOX1TDP1PABPC1EIF4HCTDSP1
SCHEMBL331010 0.84 GAA (0.37) TDP1GAASMN1; SMN2CA12CA9
SCHEMBL331068 0.84 TDP1 (0.42) TDP1GAASMN1; SMN2PTGS2
SCHEMBL2679442 0.82 DNM1 (0.42) SMN1; SMN2PTGS2
SCHEMBL330900 0.81 TDP1 (0.39) TDP1SMN1; SMN2CA12CA9CES2
SCHEMBL332217 0.81 CA12 (0.41) TDP1CA12CA9PTGS2
Iodide SCHEMBL1502864 0.80 APOBEC3A (0.42) SMN1; SMN2PTGS2
Bromide SCHEMBL637206 0.80 DNM1 (0.44) SMN1; SMN2PTGS2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295484-B1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2018-01-17 EP disclosed
EP-2407498-B1 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC (JP) 2017-11-15 EP disclosed
US-8304507-B2 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS, INC. (JP) 2012-11-06 US disclosed
EP-2407498-A2 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material Mitsui Chemicals, Inc. (JP) 2012-01-18 EP disclosed
US-20110112269-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM THE POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2011-05-12 US disclosed
EP-2295484-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2011-03-16 EP disclosed