SCHEMBL13328975

SCHEMBL13328975

CCC(C)(C)c1ccc(S(=O)(=O)c2ccc(Oc3ccc(OC(C)(CC)c4ccc(S(=O)(=O)c5ccc(C)cc5)cc4)c4ccccc34)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MCL1 Q07820 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CASP1 P29466 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ POLB P06746 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ RRM1 P23921 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ KCNH2 Q12809 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
SCHEMBL13602257 0.93 HTT (0.43) HTTSMN1; SMN2MCL1TDP1L3MBTL1
SCHEMBL13266196 0.93 HTT (0.46) HTTSMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL13329235 0.89 HTT (0.40) HTTSMN1; SMN2MCL1TDP1L3MBTL1
SCHEMBL13266189 0.88 HTT (0.43) HTTSMN1; SMN2MCL1TDP1L3MBTL1
SCHEMBL13181443 0.86 MCL1 (0.45) HTTSMN1; SMN2MCL1CASP1MAPT
SCHEMBL13668497 0.83 BCHE (0.46) HTTSMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL13758295 0.81 HTT (0.47) HTTSMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL13758440 0.81 HTT (0.47) HTTSMN1; SMN2TDP1L3MBTL1CASP1
SCHEMBL13668719 0.80 HTT (0.45) HTTSMN1; SMN2TDP1L3MBTL1MAPT
SCHEMBL10227069 0.80 HTT (0.47) HTTSMN1; SMN2TDP1L3MBTL1MAPT

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-20100159351-A1 MEMBRANE-ELECTRODE ASSEMBLY, AND MEMBRANE-ELECTRODE-(GAS DIFFUSION LAYER) ASSEMBLY AND SOLID POLYMER FUEL CELL EACH COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED 2010-06-24 — — US disclosed
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