SCHEMBL503876

SCHEMBL503876

CCCCCCCCCCS(=O)(=O)O.O=C(c1ccccc1)C(O)(CO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
CES1 P23141 4/20 0.40
CES2 O00748 3/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 3/20 0.38
SCN9A Q15858 3/20 0.38
EPHX2 P34913 1/20 0.36
PTGS2 P35354 1/20 0.36
PTPN1 P18031 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
SCHEMBL503386 1.00 NAAA (0.43) NAAACES1CES2MMP1MMP9
SCHEMBL28379065 1.00 NAAA (0.43) NAAACES1CES2MMP1MMP9
SCHEMBL2903855 1.00 NAAA (0.43) NAAACES1CES2MMP1MMP9
SCHEMBL11057570 0.82 CES1 (0.45) CES1
SCHEMBL28356141 0.80 CES1 (0.38) NAAACES1CES2PTGS2PTPN1
SCHEMBL9575220 0.79 CES1 (0.40) NAAACES1CES2MMP1MMP9
SCHEMBL36374 0.78 CES1 (0.48) CES1CES2PTPN1
SCHEMBL11667545 0.78 SCN5A (0.51) NAAACES1CES2KCNH2SCN5A
SCHEMBL8753682 0.78 SCN5A (0.51) NAAACES1CES2KCNH2SCN5A
SCHEMBL15865137 0.78 SCN5A (0.51) NAAACES1CES2KCNH2SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435718-B2 Upper layer-forming composition and photoresist patterning method JSR CORPORATION (JP) 2013-05-07 US disclosed
EP-1950610-B1 IMMERSION LITHOGRAPHIC COMPOSITION FOR FORMING UPPER FILM AND METHOD FOR FORMING PHOTORESIST PATTERN JSR CORP (JP) 2012-05-02 EP disclosed
US-20120028198-A1 UPPER LAYER-FORMING COMPOSITION AND PHOTORESIST PATTERNING METHOD JSR CORPORATION (JP) 2012-02-02 US disclosed
US-20100003615-A1 UPPER LAYER-FORMING COMPOSITION AND PHOTORESIST PATTERNING METHOD JSR CORPORATION (JP) 2010-01-07 US disclosed
EP-1950610-A1 COMPOSITION FOR FORMING UPPER FILM AND METHOD FOR FORMING PHOTORESIST PATTERN JSR Corporation (JP) 2008-07-30 EP disclosed