SCHEMBL9575220

SCHEMBL9575220

CCCCCCCCS(=O)(=O)OCC(O)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.40
CES2 O00748 3/20 0.40
NAAA Q02083 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
KCNH2 Q12809 1/20 0.38
PTGS2 P35354 1/20 0.36
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36
PTPN1 P18031 1/20 0.35
SRC P12931 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL10537348 0.86 MMP1 (0.42) CES1CES2NAAAMMP1MMP9
SCHEMBL2903855 0.79 NAAA (0.43) CES1CES2NAAAMMP1MMP9
SCHEMBL28379065 0.79 NAAA (0.43) CES1CES2NAAAMMP1MMP9
SCHEMBL503386 0.79 NAAA (0.43) CES1CES2NAAAMMP1MMP9
SCHEMBL503876 0.79 NAAA (0.43) CES1CES2NAAAMMP1MMP9
SCHEMBL9575059 0.78 CES1 (0.46) CES1PRSS1CTSGCTRB1CMA1
SCHEMBL11667545 0.77 SCN5A (0.51) CES1CES2NAAAKCNH2SCN5A
SCHEMBL8753682 0.77 SCN5A (0.51) CES1CES2NAAAKCNH2SCN5A
SCHEMBL8753891 0.77 SCN5A (0.51) CES1CES2NAAAKCNH2SCN5A
SCHEMBL15865137 0.77 SCN5A (0.51) CES1CES2NAAAKCNH2SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190988-A Ultraviolet-curable organopolysiloxane composition containing a benzoinsulphonate initiator and metal catalyst SHIN-ETSU CHEMICAL COMPANY, LIMITED (JP) 1993-03-02 US disclosed