SCHEMBL11295326

SCHEMBL11295326

CC(C)(O)C#Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(Oc5ccccc5S(=O)(=O)c5ccc(Oc6ccc(Oc7ccc(S(=O)(=O)c8ccc(Oc9cccc(C#CC(C)(C)O)c9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 4/20 0.43
HTT P42858 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP2 P08253 5/20 0.41
MMP9 P14780 5/20 0.41
MMP8 P22894 5/20 0.41
MMP12 P39900 5/20 0.41
MMP13 P45452 5/20 0.41
MMP14 P50281 4/20 0.41
MMP16 P51512 4/20 0.41
MMP3 P08254 4/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR6 P50406 1/20 0.38
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 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
SCHEMBL11295559 0.99 HAO1 (0.42) HAO1HTTTDP1L3MBTL1MMP2
SCHEMBL11300195 0.99 HAO1 (0.42) HAO1HTTTDP1L3MBTL1MMP2
SCHEMBL11293603 0.99 HAO1 (0.42) HAO1HTTTDP1L3MBTL1MMP2
SCHEMBL11299664 0.99 HAO1 (0.44) HAO1HTTTDP1L3MBTL1MMP2
SCHEMBL11294207 0.99 HAO1 (0.44) HAO1HTTTDP1L3MBTL1MMP2
SCHEMBL11295190 0.98 HAO1 (0.43) HAO1HTTTDP1L3MBTL1MMP2
SCHEMBL11292913 0.98 HAO1 (0.44) HAO1HTTTDP1L3MBTL1MMP2
SCHEMBL11297272 0.97 HAO1 (0.44) HAO1HTTTDP1L3MBTL1MMP2
SCHEMBL11291164 0.97 HAO1 (0.44) HAO1HTTTDP1L3MBTL1MMP2
SCHEMBL11297808 0.97 HAO1 (0.45) HAO1HTTTDP1L3MBTL1MMP2

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