SCHEMBL10676194

SCHEMBL10676194

CCOC(=O)c1cc(C(=O)c2ccc[nH]2)c(CC)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ MAPT P10636 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ GAA P10253 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ KDM4E B2RXH2 5/20 0.43
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38

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
SCHEMBL10675813 0.85 NAPRT (0.43) ALDH1A1MAPTL3MBTL1GAAPOLB
SCHEMBL10684504 0.84 CDC7 (0.40) MAPTL3MBTL1KDM4ETSHR
SCHEMBL10677472 0.84 NPC1 (0.38) ALDH1A1MAPTL3MBTL1NPC1KDM4E
SCHEMBL10682007 0.81 ALDH1A1 (0.56) ALDH1A1MAPTL3MBTL1LMNAGAA
SCHEMBL10678506 0.80 CYP1A2 (0.39) MAPTL3MBTL1NPC1KDM4ETSHR
SCHEMBL10684544 0.80 CDK5 (0.54) ALDH1A1MAPTL3MBTL1LMNAGAA
SCHEMBL10674925 0.80 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1LMNAGAA
SCHEMBL10679716 0.79 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1LMNAGAA
SCHEMBL10682164 0.78 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1LMNAGAA
SCHEMBL10679720 0.77 PDE3B (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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