SCHEMBL14543740

SCHEMBL14543740

O=C(OCCC1CCCCC1)c1cc(Cl)c(S(=O)(=O)O)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.40
ESR1 P03372 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PTGS2 P35354 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL6395603 0.86 SCN9A (0.36) SCN9ATDP1PTGS2CHRM2CHRM4
SCHEMBL14543737 0.85 KMT2A (0.44) SCN9ATDP1KMT2AHPGDL3MBTL1
SCHEMBL14543741 0.85 ESR1 (0.39) SCN9AESR1TDP1KMT2AL3MBTL1
SCHEMBL178364 0.83 CHRM2 (0.40) SCN9ATDP1KMT2ACHRM2CHRM4
SCHEMBL14883103 0.83 ESR1 (0.43) SCN9AESR1TDP1KMT2AHPGD
SCHEMBL16381868 0.82 CHRM2 (0.35) SCN9ATDP1KMT2AHPGDPTGS2
SCHEMBL5460685 0.81 THRB (0.46) ESR1KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL5461904 0.80 THRB (0.45) ESR1KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL14543605 0.80 SCN9A (0.40) SCN9ATDP1KMT2AHPGDPTGS2
SCHEMBL16248163 0.80 JMJD6 (0.38) KMT2ACHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927194-B2 Chemical amplified photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20070088131-A1 Sulfonate and resist composition TOISHI KOUJI 2007-04-19 US disclosed
US-7205090-B2 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-17 US disclosed
US-7175963-B2 Chemical amplification type positive resist composition and a resin therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-02-13 US disclosed