SCHEMBL13243767

SCHEMBL13243767

CCC(C)(C)Oc1cccc2c(Oc3ccc(S(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.37
▸ HSD17B3 P37058 1/20 0.37
▸ MCL1 Q07820 2/20 0.37
▸ FDFT1 P37268 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NR1I2 O75469 2/20 0.35
▸ APLNR P35414 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ NPC1 O15118 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
SCHEMBL14364714 0.87 HTT (0.38) HSD11B1MCL1HTTSMN1; SMN2TDP1
SCHEMBL13181443 0.87 MCL1 (0.45) HSD11B1MCL1HTTSMN1; SMN2PTPN1
SCHEMBL13266189 0.85 HTT (0.43) HSD11B1HSD17B3MCL1FDFT1HTT
SCHEMBL12608154 0.83 MCL1 (0.39) HSD11B1MCL1HTTSMN1; SMN2TDP1
SCHEMBL10066817 0.82 MCL1 (0.40) MCL1HTTSMN1; SMN2ALDH1A1PTPN1
SCHEMBL13266196 0.81 HTT (0.46) HSD11B1HTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL19524898 0.81 HTT (0.49) HSD11B1FDFT1HTTSMN1; SMN2TDP1
SCHEMBL14454544 0.80 CA1 (0.45) HSD11B1SMN1; SMN2NR1I2CA1CA2
SCHEMBL10033513 0.79 ALDH1A1 (0.41) HSD11B1HTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL12606797 0.78 MCL1 (0.41) MCL1HTTSMN1; SMN2TDP1L3MBTL1

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-20100209810-A1 POLYMER ELECTROLYTE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 — — US disclosed
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