SCHEMBL11293162

SCHEMBL11293162

CCC(O)(C#Cc1cccc(Oc2ccc(S(=O)(=O)c3ccccc3Oc3cccc(C#CC(O)(CC)CC)c3)cc2)c1)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.40
MMP9 P14780 5/20 0.40
MMP8 P22894 5/20 0.40
MMP12 P39900 5/20 0.40
MMP13 P45452 5/20 0.40
MMP14 P50281 4/20 0.40
MMP16 P51512 4/20 0.40
MMP3 P08254 4/20 0.40
HTT P42858 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR6 P50406 1/20 0.37
ALOX5 P09917 3/20 0.37
NAMPT P43490 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP1 P03956 1/20 0.36
HAO1 Q9UJM8 2/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 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
SCHEMBL11294506 1.00 MMP2 (0.40) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11298821 0.99 MMP2 (0.39) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11296544 0.98 MMP2 (0.39) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11292236 0.98 MMP2 (0.39) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11297370 0.97 MMP2 (0.38) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11290722 0.94 MMP2 (0.40) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11290488 0.92 MMP2 (0.40) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11295161 0.91 MMP2 (0.41) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11301045 0.91 MMP2 (0.41) MMP2MMP9MMP8MMP12MMP13
SCHEMBL11296493 0.90 MMP2 (0.39) 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