SCHEMBL28494202

SCHEMBL28494202

COCOc1cc(O)cc(C(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA5A P35218 1/20 0.53
▸ LMNA P02545 1/20 0.42
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ MAOB P27338 10/20 0.40
▸ MAOA P21397 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.37

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
SCHEMBL9679974 0.89 LMNA (0.42) CA5ALMNAMAOBMAOAL3MBTL1
SCHEMBL2350986 0.85 CA1 (0.61) LMNACA12CA1CA2CA7
SCHEMBL6154771 0.84 MEN1 (0.45) LMNAL3MBTL1
SCHEMBL12523929 0.83 CA5A (0.50) CA5ALMNACA12CA1CA2
SCHEMBL30994477 0.83 MAOB (0.41) LMNAMAOBL3MBTL1
SCHEMBL9525522 0.82 CA5A (0.57) CA5ALMNACA12CA1CA2
SCHEMBL1189940 0.80 CA5A (0.64) CA5ALMNACA12CA1CA2
SCHEMBL7991107 0.79 CA5A (0.53) CA5ALMNAMAOB
SCHEMBL7893039 0.79 CYP3A4 (0.55) MAOB
SCHEMBL13703965 0.78 CA5A (0.52) CA5ALMNACA12CA1CA2

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
CN-109265332-B Polyhydroxy chalcone compound and application thereof 北京理工大学 2020-11-13 — — CN disclosed
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