SCHEMBL11295025

SCHEMBL11295025

CC(C)(O)C#Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(C#CC(C)(C)O)cc7)cc6)cc5)c4)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
HAO1 Q9UJM8 2/20 0.44
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ELANE P08246 2/20 0.39
FFAR1 O14842 2/20 0.38
PGR P06401 2/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL11294471 1.00 HTT (0.51) HTTL3MBTL1TDP1SMN1; SMN2HAO1
SCHEMBL11296575 1.00 HTT (0.51) HTTL3MBTL1TDP1SMN1; SMN2HAO1
SCHEMBL11302882 0.96 HAO1 (0.48) HTTL3MBTL1TDP1SMN1; SMN2HAO1
SCHEMBL11292881 0.96 HAO1 (0.48) HTTL3MBTL1TDP1SMN1; SMN2HAO1
SCHEMBL11296740 0.96 HAO1 (0.48) HTTL3MBTL1TDP1SMN1; SMN2HAO1
SCHEMBL11295223 0.96 HAO1 (0.48) HTTL3MBTL1TDP1SMN1; SMN2HAO1
SCHEMBL11292210 0.95 HAO1 (0.49) HTTL3MBTL1TDP1SMN1; SMN2HAO1
SCHEMBL11295671 0.95 HAO1 (0.49) HTTL3MBTL1TDP1SMN1; SMN2HAO1
SCHEMBL11299857 0.95 HAO1 (0.49) HTTL3MBTL1TDP1SMN1; SMN2HAO1
SCHEMBL11291687 0.94 HAO1 (0.50) HTTL3MBTL1TDP1SMN1; SMN2HAO1

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-4356325-A Process for preparation of acetylene terminated sulfones, oligomers and precursors therefor GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-26 US disclosed