SCHEMBL13668499

SCHEMBL13668499

CCC(Oc1ccc(Oc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c2ccccc12)c1ccc(S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ FFAR1 O14842 3/20 0.43
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ KEAP1 Q14145 2/20 0.39
▸ NFE2L2 Q16236 2/20 0.39
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ IGLV6-57 P01721 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL13064091 0.87 HTT (0.54) HTTSMN1; SMN2TDP1L3MBTL1FFAR1
SCHEMBL13668496 0.84 SMN1; SMN2 (0.46) HTTSMN1; SMN2TDP1L3MBTL1FFAR1
SCHEMBL822840 0.83 HTT (0.70) HTTSMN1; SMN2TDP1L3MBTL1FFAR1
SCHEMBL13266193 0.83 HTT (0.43) HTTSMN1; SMN2TDP1L3MBTL1FFAR1
SCHEMBL13266187 0.82 HTT (0.56) HTTSMN1; SMN2TDP1L3MBTL1FFAR1
SCHEMBL9915246 0.82 FFAR1 (0.42) HTTSMN1; SMN2FFAR1KEAP1NFE2L2
SCHEMBL14036502 0.81 GAA (0.50) HTTSMN1; SMN2TDP1L3MBTL1GAA
SCHEMBL13670309 0.80 HTT (0.57) HTTSMN1; SMN2TDP1L3MBTL1FFAR1
SCHEMBL13266243 0.79 HTT (0.52) HTTSMN1; SMN2TDP1L3MBTL1FFAR1
SCHEMBL16361395 0.79 BCHE (0.48) HTTSMN1; SMN2TDP1L3MBTL1GAA

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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