SCHEMBL13668496

SCHEMBL13668496

CCC(Oc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)c(-c3ccccc3)c2)cc1-c1ccccc1)c1ccc(S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ ALKBH3 Q96Q83 1/20 0.34
▸ IGLV6-57 P01721 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HPRT1 P00492 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NR3C1 P04150 1/20 0.33

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
SCHEMBL13266193 0.96 HTT (0.43) SMN1; SMN2HTTTDP1L3MBTL1PTGS2
SCHEMBL2754676 0.92 HTT (0.39) SMN1; SMN2HTTTDP1L3MBTL1PTGS2
SCHEMBL13266251 0.87 CNR2 (0.39) SMN1; SMN2HTTPTGS2ALDH1A1PTGDR2
SCHEMBL822849 0.86 HTT (0.61) SMN1; SMN2HTTTDP1L3MBTL1PTGS2
SCHEMBL13668499 0.84 HTT (0.50) SMN1; SMN2HTTTDP1L3MBTL1ALDH1A1
SCHEMBL10228504 0.83 CNR2 (0.36) SMN1; SMN2HTTPTGS2ALDH1A1PTGDR2
SCHEMBL10034487 0.83 SMN1; SMN2 (0.52) SMN1; SMN2HTTTDP1L3MBTL1PTGS2
SCHEMBL13670320 0.83 HTT (0.52) SMN1; SMN2HTTTDP1L3MBTL1PTGS2
SCHEMBL12927418 0.82 SLC6A9 (0.39) SMN1; SMN2HTTTDP1L3MBTL1ALDH1A1
SCHEMBL10018170 0.82 HTT (0.56) SMN1; SMN2HTTTDP1L3MBTL1PTGS2

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-20090253015-A1 POLYARYLENE BLOCK COPOLYMER AND USE THEREOF SUMITOMO CHEMICAL COMPANY ,LIMITED (JP) 2009-10-08 — — US disclosed
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