SCHEMBL9163394

SCHEMBL9163394

O=C(O)c1ccc2c(c1)C(=O)C1CC=CCC1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ TTR P02766 3/20 0.47
▸ PTPRC P08575 2/20 0.46
▸ POLB P06746 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TDP2 O95551 1/20 0.41
▸ SRD5A2 P31213 4/20 0.40
▸ SRD5A1 P18405 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CDC25A P30304 1/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11937039 0.77 TTR (0.52) CA1CA2CA9L3MBTL1TTR
SCHEMBL28833405 0.75 CA12 (0.45) CA12CA1CA2CA9L3MBTL1
SCHEMBL8771792 0.75 CA12 (0.40) CA12CA1CA2CA9L3MBTL1
SCHEMBL2229729 0.73 ACHE (0.44) CA1CA2CA9KMT2AMEN1
SCHEMBL31199227 0.73 S100A4 (0.47) KMT2AMAPTALDH1A1
SCHEMBL31199233 0.73 ACHE (0.44) CA1CA2CA9KMT2AMEN1
SCHEMBL9164065 0.73 S100A4 (0.47) KMT2AMAPTALDH1A1
SCHEMBL68062 0.70 PTPRC (0.72) CA12CA1CA2CA9L3MBTL1
SCHEMBL69805 0.70 PTPRC (0.72) CA12CA1CA2CA9L3MBTL1
SCHEMBL598301 0.69 TTR (0.88) L3MBTL1TTRPTPRCPOLBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430164-B1 Process for preparation of 2-substituted-1,4-naphthoquinone NIPPON CATALYTIC CHEM IND (JP) 1995-03-22 — — EP disclosed
US-5329026-A Oxidation of substituted naphthoquinone, adding a diene compound to reaction product, separation NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) 1994-07-12 — — US disclosed
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