SCHEMBL11297808

SCHEMBL11297808

CC(C)(O)C#Cc1cccc(Oc2ccccc2S(=O)(=O)c2ccc(Oc3ccc(Oc4ccc(S(=O)(=O)c5ccccc5Oc5cccc(C#CC(C)(C)O)c5)cc4)cc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.45
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 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR6 P50406 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
ALOX5 P09917 3/20 0.37
CA12 O43570 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
SCHEMBL11293661 1.00 HAO1 (0.45) HAO1MMP2MMP9MMP8MMP12
SCHEMBL11291857 0.99 HAO1 (0.44) HAO1MMP2MMP9MMP8MMP12
SCHEMBL11292913 0.99 HAO1 (0.44) HAO1MMP2MMP9MMP8MMP12
SCHEMBL11299664 0.98 HAO1 (0.44) HAO1MMP2MMP9MMP8MMP12
SCHEMBL11294207 0.98 HAO1 (0.44) HAO1MMP2MMP9MMP8MMP12
SCHEMBL11297272 0.98 HAO1 (0.44) HAO1MMP2MMP9MMP8MMP12
SCHEMBL11291164 0.98 HAO1 (0.44) HAO1MMP2MMP9MMP8MMP12
SCHEMBL11295190 0.97 HAO1 (0.43) HAO1MMP2MMP9MMP8MMP12
SCHEMBL11295326 0.97 HAO1 (0.43) HAO1MMP2MMP9MMP8MMP12
SCHEMBL11295559 0.96 HAO1 (0.42) HAO1MMP2MMP9MMP8MMP12

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