SCHEMBL330745

SCHEMBL330745

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.39
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
BBOX1 O75936 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 2/20 0.35
PKM P14618 1/20 0.35
PABPC1 P11940 1/20 0.34
EIF4H Q15056 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL330936 0.89 PSIP1 (0.45) PSIP1CA12CA2CA9TDP1
SCHEMBL332017 0.85 PSIP1 (0.45) PSIP1CA12CA2CA9TDP1
SCHEMBL331009 0.85 BBOX1 (0.36) CA12CA2CA9BBOX1TDP1
SCHEMBL330632 0.84 APOBEC3A (0.50) PSIP1CA12CA2CA9BBOX1
SCHEMBL331078 0.84 CA12 (0.37) PSIP1CA12CA2CA9BBOX1
SCHEMBL330746 0.82 PSIP1 (0.39) PSIP1TDP1GAAPKMCYP1A2
SCHEMBL330925 0.81 PSIP1 (0.47) PSIP1CA12CA2CA9TDP1
SCHEMBL125687 0.78 APOBEC3A (0.46) PSIP1TDP1SMN1; SMN2
SCHEMBL330838 0.77 KDM4E (0.57) PSIP1BBOX1TDP1GAASMN1; SMN2
SCHEMBL330886 0.77 LMNA (0.54) CA12CA2CA9TDP1GAA

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