SCHEMBL11297835

SCHEMBL11297835

CCC(O)(C#Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(C#CC(O)(CC)CC)cc7)cc6)cc5)c4)cc3)cc2)cc1)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
FFAR1 O14842 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MMP13 P45452 1/20 0.36
PGR P06401 2/20 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
SCHEMBL11295595 0.96 HTT (0.45) HTTTDP1L3MBTL1SMN1; SMN2FFAR1
SCHEMBL11299988 0.95 HTT (0.46) HTTTDP1L3MBTL1SMN1; SMN2FFAR1
SCHEMBL11298214 0.95 HTT (0.46) HTTTDP1L3MBTL1SMN1; SMN2FFAR1
SCHEMBL11298014 0.94 HTT (0.47) HTTTDP1L3MBTL1SMN1; SMN2FFAR1
SCHEMBL11300185 0.93 HTT (0.48) HTTTDP1L3MBTL1SMN1; SMN2FFAR1
SCHEMBL11296515 0.93 HTT (0.48) HTTTDP1L3MBTL1SMN1; SMN2FFAR1
SCHEMBL11302824 0.92 HTT (0.42) HTTTDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL11293779 0.92 HTT (0.42) HTTTDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL11290722 0.89 MMP2 (0.40) HTTTDP1L3MBTL1SMN1; SMN2FFAR1
SCHEMBL11297747 0.89 HTT (0.44) HTTTDP1L3MBTL1SMN1; SMN2FFAR1

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