SCHEMBL11295671

SCHEMBL11295671

CC(C)(O)C#Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7cccc(C#CC(C)(C)O)c7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 6/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.39
ALOX5 P09917 3/20 0.38
MAPT P10636 1/20 0.38
ELANE P08246 1/20 0.38
FFAR1 O14842 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP13 P45452 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
SCHEMBL11292210 1.00 HAO1 (0.49) HAO1HTTL3MBTL1TDP1CA12
SCHEMBL11299857 1.00 HAO1 (0.49) HAO1HTTL3MBTL1TDP1CA12
SCHEMBL11292881 0.99 HAO1 (0.48) HAO1HTTL3MBTL1TDP1CA12
SCHEMBL11302882 0.99 HAO1 (0.48) HAO1HTTL3MBTL1TDP1CA12
SCHEMBL11295223 0.99 HAO1 (0.48) HAO1HTTL3MBTL1TDP1CA12
SCHEMBL11296740 0.99 HAO1 (0.48) HAO1HTTL3MBTL1TDP1CA12
SCHEMBL11295179 0.97 HTT (0.51) HAO1HTTL3MBTL1TDP1CA12
SCHEMBL11296495 0.97 HTT (0.51) HAO1HTTL3MBTL1TDP1CA12
SCHEMBL11293026 0.97 HTT (0.51) HAO1HTTL3MBTL1TDP1CA12
SCHEMBL11291687 0.96 HAO1 (0.50) HAO1HTTL3MBTL1TDP1CA12

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