SCHEMBL330996

SCHEMBL330996

CCCC[N+](CCCC)(CCCC)Cc1ccccc1.CCCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
CNR2 P34972 2/20 0.39
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
HPGD P15428 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
LTA4H P09960 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
GAA P10253 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
SCHEMBL331109 0.92 DNM1 (0.47) DNM1MEN1KMT2ATP53MAPK1
Sulfuric Acid SCHEMBL28027708 0.91 DNM1 (0.49) DNM1MEN1KMT2ATP53MAPK1
Sulfuric Acid SCHEMBL2908888 0.91 DNM1 (0.49) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL330959 0.89 CYP1A2 (0.48) DNM1MEN1KMT2ATP53MAPK1
Sulfuric Acid SCHEMBL2245787 0.88 DNM1 (0.46) DNM1MEN1KMT2ATP53MAPK1
Sulfuric Acid SCHEMBL17272951 0.86 DNM1 (0.45) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL330889 0.86 CYP1A2 (0.41) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL330995 0.85 DNM1 (0.44) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL331062 0.85 SMN1; SMN2 (0.48) DNM1MEN1KMT2ATP53MAPK1
Sulfuric Acid SCHEMBL11812340 0.84 DNM1 (0.58) DNM1MEN1KMT2ATP53MAPK1

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