SCHEMBL11293026

SCHEMBL11293026

CC(C)(O)C#Cc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(Oc8ccc(S(=O)(=O)c9ccc(Oc%10cccc(C#CC(C)(C)O)c%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HAO1 Q9UJM8 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
ALOX5 P09917 3/20 0.39
ELANE P08246 1/20 0.39
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
MMP14 P50281 1/20 0.38
MMP16 P51512 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL11296495 1.00 HTT (0.51) HTTTDP1L3MBTL1HAO1SMN1; SMN2
SCHEMBL11295179 1.00 HTT (0.51) HTTTDP1L3MBTL1HAO1SMN1; SMN2
SCHEMBL11291687 0.99 HAO1 (0.50) HTTTDP1L3MBTL1HAO1SMN1; SMN2
SCHEMBL11292309 0.99 HAO1 (0.50) HTTTDP1L3MBTL1HAO1SMN1; SMN2
SCHEMBL11292550 0.99 HAO1 (0.50) HTTTDP1L3MBTL1HAO1SMN1; SMN2
SCHEMBL11299857 0.97 HAO1 (0.49) HTTTDP1L3MBTL1HAO1SMN1; SMN2
SCHEMBL11292210 0.97 HAO1 (0.49) HTTTDP1L3MBTL1HAO1SMN1; SMN2
SCHEMBL11295671 0.97 HAO1 (0.49) HTTTDP1L3MBTL1HAO1SMN1; SMN2
SCHEMBL11292881 0.96 HAO1 (0.48) HTTTDP1L3MBTL1HAO1SMN1; SMN2
SCHEMBL11295223 0.96 HAO1 (0.48) HTTTDP1L3MBTL1HAO1SMN1; SMN2

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