SCHEMBL11297332

SCHEMBL11297332

CCC(C)(O)C#Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(C#CC(C)(O)CC)c4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
HAO1 Q9UJM8 4/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX5 P09917 3/20 0.37
FFAR1 O14842 3/20 0.37
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MMP13 P45452 2/20 0.36
NR1H2 P55055 1/20 0.36
MAPT P10636 1/20 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
SCHEMBL11303722 0.98 HTT (0.47) HTTTDP1L3MBTL1CA12CA1
SCHEMBL11296493 0.91 MMP2 (0.39) HTTTDP1L3MBTL1CA12CA1
SCHEMBL11294629 0.91 SMN1; SMN2 (0.41) HTTTDP1L3MBTL1SMN1; SMN2HAO1
SCHEMBL11298214 0.90 HTT (0.46) HTTTDP1L3MBTL1CA12CA1
SCHEMBL11299988 0.90 HTT (0.46) HTTTDP1L3MBTL1CA12CA1
SCHEMBL11295595 0.89 HTT (0.45) HTTTDP1L3MBTL1CA12CA1
SCHEMBL11290488 0.88 MMP2 (0.40) HTTTDP1L3MBTL1SMN1; SMN2HAO1
SCHEMBL11292210 0.88 HAO1 (0.49) HTTTDP1L3MBTL1CA12CA1
SCHEMBL11295671 0.88 HAO1 (0.49) HTTTDP1L3MBTL1CA12CA1
SCHEMBL11299857 0.88 HAO1 (0.49) HTTTDP1L3MBTL1CA12CA1

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