SCHEMBL6934374

SCHEMBL6934374

CCOC(=O)C(SC(C(=O)OCC)c1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
GAA P10253 1/20 0.46
UGT2B7 P16662 1/20 0.45
GLA P06280 1/20 0.43
PIN1 Q13526 1/20 0.43
OPRM1 P35372 1/20 0.42
MMP9 P14780 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 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
SCHEMBL6378903 0.83 MMP8 (0.50) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5878417 0.81 AKR1C3 (0.54) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL15341770 0.81 AKR1C3 (0.54) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5860496 0.80 CYP2D6 (0.50) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL27734602 0.80 AKR1C3 (0.52) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL17583661 0.79 CYP2D6 (0.52) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7153178 0.78 SLC6A2 (0.48) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL6366872 0.78 CYP2D6 (0.46) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5281573 0.77 GAA (0.53) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9554603 0.77 CYP2D6 (0.47) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846681-B1 NOVEL SULFONIUM SALT COMPOUNDS, POLYMERIZATION INITIATOR, CURABLE COMPOSITION, AND CURING METHOD NIPPON SODA CO (JP) 2003-12-03 EP disclosed
US-6093753-A CURABLE COMPOSITION COMPRISING A CATIONIC POLYMERIZABLE COMPOUND WHICH IS AN ALICYCLIC EPOXY COMPOUND OR A VINYL ETHER COMPOUND AND A CATIONIC POLYMERIZATION INITIATOR; PAINTS, ADHESIVES, INKS, PHOTORESISTS NIPPON SODA CO., LTD. (JP) 2000-07-25 US disclosed
EP-0846681-A1 NOVEL SULFONIUM SALT COMPOUNDS, POLYMERIZATION INITIATOR, CURABLE COMPOSITION, AND CURING METHOD NIPPON SODA CO., LTD. (JP) 1998-06-10 EP disclosed