SCHEMBL4654652

SCHEMBL4654652

CCCCCCCCS(=O)(=O)O[I+](c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
MMP13 P45452 3/20 0.38
MMP9 P14780 2/20 0.37
ADAM17 P78536 2/20 0.37
HTT P42858 2/20 0.37
MMP1 P03956 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CNR2 P34972 3/20 0.37
CNR1 P21554 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 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
SCHEMBL452107 0.90 MMP1 (0.37) MMP13MMP9HTTMMP1ALDH1A1
SCHEMBL7576454 0.89 HTT (0.40) PTGS2HTTALDH1A1CNR2CNR1
SCHEMBL7582840 0.84 HTT (0.43) PTGS2MMP13HTTALDH1A1CNR2
SCHEMBL4654700 0.82 ALDH1A1 (0.46) HTTALDH1A1
SCHEMBL2895360 0.80 MCHR1 (0.40) HTTALDH1A1CNR2
SCHEMBL1802054 0.79 KCNH2 (0.37) CNR2
SCHEMBL7573544 0.78 PSIP1 (0.36) MMP9HTTALDH1A1MMP2
SCHEMBL449583 0.77 HDAC3 (0.39) MMP13MMP9MMP1ALDH1A1
SCHEMBL1802644 0.76 FAAH (0.37)
SCHEMBL7574614 0.75 CA4 (0.43) HTTALDH1A1

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-1640804-B1 Positive-tone radiation-sensitive resin composition JSR CORP (JP) 2008-11-19 EP disclosed
US-7335457-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2008-02-26 US disclosed
US-7258962-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2007-08-21 US disclosed
US-20060078821-A1 A caroboxyalkylanthracene based compound, a hydroxy or alkoxystyrene polymer, and a sulfonimide compound as photoacid generator; low sublimation properties and excellent compatibility with other components; exhibits optimum controllability of radiation transmittance; microfabrication JSR CORPORATION (JP) 2006-04-13 US disclosed
EP-1640804-A2 Positive-tone radiation-sensitive resin composition JSR Corporation (JP) 2006-03-29 EP disclosed
US-20050244747-A1 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2005-11-03 US disclosed