SCHEMBL11299129

SCHEMBL11299129

CCC(O)(C#Cc1cccc(Oc2ccc(S(=O)(=O)c3ccccc3O)cc2)c1)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP2 P08253 4/20 0.38
MMP9 P14780 4/20 0.38
MMP8 P22894 4/20 0.38
MMP12 P39900 4/20 0.38
MMP13 P45452 4/20 0.38
MMP14 P50281 4/20 0.38
MMP16 P51512 4/20 0.38
MMP3 P08254 3/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL11292555 0.91 MMP2 (0.41) HTTMMP2MMP9MMP8MMP12
SCHEMBL11293162 0.90 MMP2 (0.40) HTTTDP1L3MBTL1MMP2MMP9
SCHEMBL11294506 0.90 MMP2 (0.40) HTTTDP1L3MBTL1MMP2MMP9
SCHEMBL11299390 0.89 HAO1 (0.45) HTTTDP1L3MBTL1MMP2MMP9
SCHEMBL11296515 0.89 HTT (0.48) HTTTDP1L3MBTL1MMP2MMP9
SCHEMBL11300185 0.89 HTT (0.48) HTTTDP1L3MBTL1MMP2MMP9
SCHEMBL11291956 0.89 HTT (0.38) HTTTDP1L3MBTL1MMP2MMP9
SCHEMBL11298821 0.89 MMP2 (0.39) HTTTDP1L3MBTL1MMP2MMP9
SCHEMBL11298014 0.88 HTT (0.47) HTTTDP1L3MBTL1MMP2MMP9
SCHEMBL11296544 0.88 MMP2 (0.39) HTTTDP1L3MBTL1MMP2MMP9

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