SCHEMBL18386646

SCHEMBL18386646

CCC(C)(C)c1ccc(S(=O)(=O)c2ccc(OC(C)c3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.41
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ BCHE P06276 2/20 0.36
▸ ACHE P22303 2/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MAOB P27338 1/20 0.34
▸ HRH3 Q9Y5N1 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
SCHEMBL10163681 0.96 HTT (0.47) CNR1HTTSMN1; SMN2GAAMAPT
SCHEMBL13266198 0.93 HTT (0.44) CNR1HTTSMN1; SMN2GAAMAPT
SCHEMBL13266192 0.89 HTT (0.41) CNR1HTTSMN1; SMN2GAAMAPT
SCHEMBL12113383 0.87 HTT (0.43) CNR1HTTSMN1; SMN2GAAMAPT
SCHEMBL12606484 0.86 HTT (0.40) CNR1HTTSMN1; SMN2GAAMAPT
SCHEMBL11959771 0.85 GAA (0.55) CNR1HTTSMN1; SMN2GAAMAPT
SCHEMBL10163908 0.84 HTT (0.44) CNR1HTTSMN1; SMN2GAATDP1
SCHEMBL10227071 0.84 HTT (0.44) CNR1HTTSMN1; SMN2GAANPC1
SCHEMBL26508516 0.82 GAA (0.59) HTTSMN1; SMN2GAAMAPTNPC1
SCHEMBL857384 0.81 NPC1 (0.43) SMN1; SMN2MAPTNPC1RAB9AHSD11B1

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-20170018793-A1 POLYMER ELECTROLYTE MEMBRANE, CATALYST COATED MEMBRANE, MEMBRANE ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL TORAY INDUSTRIES, INC. (JP) 2017-01-19 — — US disclosed
Send feedback