SCHEMBL8757315

SCHEMBL8757315

CC(C)([S+]=O)C(=O)c1ccccc1.CCC(C)[B-](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
GABRB1 P18505 1/20 0.33
GABRB2 P47870 1/20 0.33
HTT P42858 1/20 0.33
CNR1 P21554 5/20 0.32
CNR2 P34972 4/20 0.32
GPR139 Q6DWJ6 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL9003474 0.75 L3MBTL1 (0.36) HTT
SCHEMBL8757321 0.74 SLC6A3 (0.38) HTT
SCHEMBL7106541 0.74 CES1 (0.50) CES2CES1
SCHEMBL8643133 0.73 PPARA (0.34) CCR1CNR1CNR2PPARGPPARA
Hydrochloric Acid SCHEMBL11222100 0.72 CES1 (0.48) CES2CES1
Bromide SCHEMBL8757385 0.72 CES1 (0.48) CES2CES1
Hydrochloric Acid SCHEMBL7105468 0.72 CES1 (0.48) CES2CES1
SCHEMBL8756240 0.71 CES1 (0.48) CES2CES1HTT
SCHEMBL8643131 0.70 ATM (0.35) PPARA
SCHEMBL8757299 0.69 CES1 (0.38) CES2CES1

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-0555058-B1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MFG CO (JP) 1997-05-07 EP disclosed
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed
EP-0555058-A1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MANUFACTURING CO., LTD. (JP) 1993-08-11 EP disclosed