SCHEMBL16511889

SCHEMBL16511889

Cc1ccccc1C1=C(OC(=O)C2CC2)C2(CCCC2)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ELANE P08246 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ NPY5R Q15761 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ABL1 P00519 1/20 0.33

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
SCHEMBL16511695 0.99 MAPT (0.38) MAPTKMT2AMEN1L3MBTL1ELANE
SCHEMBL16511897 0.86 POLB (0.38) MAPTKMT2AMEN1POLB
SCHEMBL16511711 0.85 POLB (0.39) MAPTPOLB
SCHEMBL16511968 0.82 MAPT (0.35) MAPTL3MBTL1POLB
SCHEMBL16511697 0.81 MAPT (0.37) MAPTPOLB
SCHEMBL16511969 0.81 MAPT (0.35) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL16511967 0.81 MAPT (0.35) MAPTKMT2AMEN1POLB
SCHEMBL16511693 0.81 MAPT (0.37) MAPTPOLB
SCHEMBL16511694 0.81 MAPT (0.37) MAPTKMT2AMEN1POLB
SCHEMBL16511891 0.81 MAPT (0.34) MAPTKMT2AMEN1RAB9ASMN1; SMN2

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
WO-2011153865-A1 3-ORTHO-METHYLPHENYL-2-OXO-1-OXASPIRO[4,4]NON-3-EN-4-OL WITH BIOLOGICAL ACTIVITY, DERIVATIVES AND PREPARATION METHOD THEREOF 湖南化工研究院 (CN) 2011-12-15 — — WO disclosed
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