SCHEMBL11301146

SCHEMBL11301146

CC(C)(O)C#Cc1ccc(Oc2ccccc2S(=O)(=O)c2ccc(Oc3cccc(Oc4ccc(S(=O)(=O)c5ccccc5Oc5ccc(C#CC(C)(C)O)cc5)cc4)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.43
MMP9 P14780 6/20 0.43
MMP8 P22894 6/20 0.43
MMP12 P39900 6/20 0.43
MMP13 P45452 6/20 0.43
MMP14 P50281 5/20 0.43
MMP16 P51512 5/20 0.43
MMP3 P08254 4/20 0.43
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HAO1 Q9UJM8 2/20 0.39
HTR6 P50406 1/20 0.37
NAMPT P43490 1/20 0.37
MMP1 P03956 1/20 0.36
PTGES2 Q9H7Z7 2/20 0.36
FFAR1 O14842 1/20 0.36
LMNA P02545 1/20 0.36
ABCC9 O60706 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
SCHEMBL11292683 0.99 HTT (0.43) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11302157 0.99 HTT (0.43) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11295190 0.97 HAO1 (0.43) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11300195 0.96 HAO1 (0.42) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11295559 0.96 HAO1 (0.42) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11293603 0.96 HAO1 (0.42) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11299664 0.96 HAO1 (0.44) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11294207 0.96 HAO1 (0.44) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11295326 0.95 HAO1 (0.43) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11291857 0.94 HAO1 (0.44) MMP2MMP9MMP8MMP12MMP13

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