SCHEMBL17565752

SCHEMBL17565752

COc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(S(=O)(=O)c5ccc(C)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
PKM P14618 2/20 0.73
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
GAA P10253 2/20 0.61
RAPGEF4 Q8WZA2 1/20 0.59
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
ACHE P22303 2/20 0.58
BCHE P06276 1/20 0.57
MAPT P10636 1/20 0.50
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 2/20 0.49
MMP12 P39900 2/20 0.49
MMP13 P45452 2/20 0.49
MMP14 P50281 2/20 0.49

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
SCHEMBL12213201 1.00 HTT (0.73) HTTSMN1; SMN2PKMTDP1L3MBTL1
SCHEMBL679876 1.00 HTT (0.73) HTTSMN1; SMN2PKMTDP1L3MBTL1
SCHEMBL686310 1.00 HTT (0.73) HTTSMN1; SMN2PKMTDP1L3MBTL1
SCHEMBL10034461 1.00 HTT (0.73) HTTSMN1; SMN2PKMTDP1L3MBTL1
SCHEMBL12120846 1.00 HTT (0.73) HTTSMN1; SMN2PKMTDP1L3MBTL1
SCHEMBL14148710 1.00 HTT (0.73) HTTSMN1; SMN2PKMTDP1L3MBTL1
SCHEMBL10093716 1.00 HTT (0.73) HTTSMN1; SMN2PKMTDP1L3MBTL1
SCHEMBL10093717 1.00 HTT (0.73) HTTSMN1; SMN2PKMTDP1L3MBTL1
SCHEMBL13021059 0.95 HTT (0.67) HTTSMN1; SMN2PKMTDP1L3MBTL1
SCHEMBL12857765 0.95 HTT (0.67) HTTSMN1; SMN2PKMTDP1L3MBTL1

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-20160068679-A1 POLYMERIZABLE LACTAM COMPOSITION CONTAINING A SULFONATED POLYARYL SULFONE BASF SE (DE) 2016-03-10 US disclosed