SCHEMBL10679716

SCHEMBL10679716

CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)c(CC)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.52
▸ MAPT P10636 5/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ GAA P10253 5/20 0.51
▸ KDM4E B2RXH2 5/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPC1 O15118 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTT P42858 2/20 0.44
▸ HPGD P15428 4/20 0.43
▸ MAOB P27338 2/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43

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
SCHEMBL10682007 0.89 ALDH1A1 (0.56) ALDH1A1MAPTL3MBTL1LMNAGAA
SCHEMBL10674925 0.87 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1LMNAGAA
SCHEMBL10677653 0.86 UCHL1 (0.53) ALDH1A1MAPTL3MBTL1LMNAGAA
SCHEMBL10679788 0.85 MAPT (0.49) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL10682046 0.85 MAPT (0.48) ALDH1A1MAPTLMNAGAAKDM4E
SCHEMBL10684544 0.84 CDK5 (0.54) ALDH1A1MAPTL3MBTL1LMNAGAA
SCHEMBL10680708 0.83 MAPT (0.49) ALDH1A1MAPTL3MBTL1LMNAGAA
SCHEMBL10682462 0.81 MAPT (0.53) ALDH1A1MAPTLMNAGAAMEN1
SCHEMBL10675710 0.80 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1LMNAGAA
SCHEMBL7385630 0.79 MAPT (0.45) ALDH1A1MAPTL3MBTL1LMNAGAA

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-4769380-A Cardiotonic 5-benzoyl-1,2-dihydro-2-oxo-3-pyridinecarboxylates MERRELL DOW PHARMACEUTICALS INC. (US) 1988-09-06 — — US disclosed
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