SCHEMBL15468262

SCHEMBL15468262

CCC(C)(C)Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NR3C1 P04150 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
FFAR1 O14842 1/20 0.40
LMNA P02545 4/20 0.40
NPSR1 Q6W5P4 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
GAA P10253 1/20 0.38
PGR P06401 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL9891919 0.89 NPC1 (0.41) HTTSMN1; SMN2NR3C1FFAR1LMNA
SCHEMBL13605583 0.89 HTT (0.43) HTTSMN1; SMN2NR3C1TDP1L3MBTL1
SCHEMBL13605588 0.86 HTT (0.38) HTTSMN1; SMN2NR3C1FFAR1LMNA
SCHEMBL12087310 0.85 HTT (0.37) HTTSMN1; SMN2NR3C1L3MBTL1ALDH1A1
SCHEMBL12938531 0.83 HTT (0.62) HTTSMN1; SMN2NR3C1TDP1L3MBTL1
SCHEMBL2623415 0.83 HTT (0.62) HTTSMN1; SMN2NR3C1TDP1L3MBTL1
SCHEMBL15315177 0.83 HTT (0.62) HTTSMN1; SMN2NR3C1TDP1L3MBTL1
SCHEMBL12900879 0.82 NPC1 (0.39) HTTSMN1; SMN2NR3C1FFAR1LMNA
SCHEMBL12606789 0.82 GAA (0.53) HTTSMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL12831322 0.81 HTT (0.39) HTTSMN1; SMN2NR3C1FFAR1LMNA

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-8647164-B2 Organic electroluminescent element, production method of the same, display device, and lighting device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-02-11 US disclosed