SCHEMBL12606484

SCHEMBL12606484

CCC(Oc1ccc(S(=O)(=O)c2ccc(C(C)(C)CC)cc2)cc1)c1ccc(S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 2/20 0.39
▸ CNR1 P21554 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAOB P27338 3/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.34
▸ SLC6A9 P48067 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ PKM P14618 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
SCHEMBL18995785 0.90 BCHE (0.45) HTTSMN1; SMN2GAACNR1MAPT
SCHEMBL2754674 0.90 HTT (0.40) HTTSMN1; SMN2GAACNR1NPC1
SCHEMBL14036502 0.88 GAA (0.50) HTTSMN1; SMN2GAACNR1MAPT
SCHEMBL10227064 0.88 HTT (0.42) HTTSMN1; SMN2CNR1NPC1MAPT
SCHEMBL13668609 0.87 HTT (0.48) HTTSMN1; SMN2GAACNR1NPC1
SCHEMBL18386646 0.86 CNR1 (0.41) HTTSMN1; SMN2GAACNR1NPC1
SCHEMBL13266187 0.84 HTT (0.56) HTTSMN1; SMN2GAACNR1NPC1
SCHEMBL10163681 0.83 HTT (0.47) HTTSMN1; SMN2GAACNR1NPC1
SCHEMBL16361395 0.83 BCHE (0.48) HTTSMN1; SMN2GAACNR1MAPT
SCHEMBL857384 0.83 NPC1 (0.43) SMN1; SMN2NPC1MAPTRAB9AHSD11B1

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-20110151355-A1 POLYMER, POLYMER ELECTROLYTE AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 — — US disclosed
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