SCHEMBL11298014

SCHEMBL11298014

CCC(O)(C#Cc1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7cccc(C#CC(O)(CC)CC)c7)cc6)cc5)c4)cc3)cc2)c1)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ALOX5 P09917 3/20 0.39
HAO1 Q9UJM8 3/20 0.38
NR1H2 P55055 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
RAB9A P51151 1/20 0.37
FFAR1 O14842 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MMP2 P08253 2/20 0.35

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
SCHEMBL11296515 0.99 HTT (0.48) HTTTDP1L3MBTL1SMN1; SMN2CA12
SCHEMBL11300185 0.99 HTT (0.48) HTTTDP1L3MBTL1SMN1; SMN2CA12
SCHEMBL11295595 0.98 HTT (0.45) HTTTDP1L3MBTL1SMN1; SMN2CA12
SCHEMBL11298214 0.96 HTT (0.46) HTTTDP1L3MBTL1SMN1; SMN2CA12
SCHEMBL11299988 0.96 HTT (0.46) HTTTDP1L3MBTL1SMN1; SMN2CA12
SCHEMBL11297747 0.94 HTT (0.44) HTTTDP1L3MBTL1SMN1; SMN2CA12
SCHEMBL11297835 0.94 HTT (0.48) HTTTDP1L3MBTL1SMN1; SMN2CA12
SCHEMBL11298821 0.90 MMP2 (0.39) HTTTDP1L3MBTL1SMN1; SMN2ALOX5
SCHEMBL11299129 0.88 HTT (0.39) HTTTDP1L3MBTL1SMN1; SMN2CA12
SCHEMBL11294506 0.88 MMP2 (0.40) HTTTDP1L3MBTL1SMN1; SMN2ALOX5

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