SCHEMBL6837846

SCHEMBL6837846

O=C(OCCC1CCCCC1)c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 5/20 0.44
MAPT P10636 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL27261579 0.88 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1L3MBTL1MAPTKDM4E
SCHEMBL178364 0.87 CHRM2 (0.40) SMN1; SMN2ALDH1A1CHRM2CHRM4CHRM5
SCHEMBL2184399 0.87 L3MBTL1 (0.47) SMN1; SMN2ALDH1A1L3MBTL1MAPTCHRM2
SCHEMBL6391684 0.84 ALDH1A1 (0.44) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL16248163 0.84 JMJD6 (0.38) SMN1; SMN2ALDH1A1CHRM2CHRM4CHRM5
SCHEMBL6392866 0.82 CHRM2 (0.41) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL28803760 0.80 TDP1 (0.56) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL14543737 0.79 KMT2A (0.44) ALDH1A1L3MBTL1CHRM2CHRM4CHRM5
SCHEMBL8782111 0.78 CA1 (0.53) ALDH1A1L3MBTL1MAPTTDP1
SCHEMBL14543736 0.78 HTR7 (0.43) ALDH1A1L3MBTL1MAPTCHRM2CHRM4

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-20040018445-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-01-29 US disclosed