SCHEMBL10995339

SCHEMBL10995339

CCC(=O)c1cc(C(=O)O)c(=O)[nH]c1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ GAA P10253 5/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ KDM3B Q7LBC6 4/20 0.35
▸ KDM6B O15054 4/20 0.35
▸ KDM4A O75164 4/20 0.35
▸ KDM4D Q6B0I6 4/20 0.35
▸ HIF1AN Q9NWT6 4/20 0.35
▸ KDM2A Q9Y2K7 4/20 0.35
▸ KDM5B Q9UGL1 3/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35

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
SCHEMBL5901923 0.87 GAA (0.49) GAAHSD17B10ALDH1A1LMNAMAPT
SCHEMBL5901422 0.84 ALDH1A1 (0.36) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL9477815 0.76 PDE3B (0.50) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL10994005 0.76 KDM4E (0.42) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL10681150 0.76 UCHL1 (0.50) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL10684520 0.75 UCHL1 (0.46) KDM4EGAAHSD17B10HPGDLMNA
SCHEMBL10681743 0.75 PDE3B (0.53) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL10675813 0.74 NAPRT (0.43) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL10683554 0.74 UCHL1 (0.43) KDM4EGAAHSD17B10HPGDALDH1A1
SCHEMBL13456583 0.73 HSP90AB1 (0.47) KDM4EHSD17B10ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4524149-A 5-Alkanoyl-6-alkyl-2(1H)-pyridinones, their preparation and their cardiotonic use STERLING DRUG INC. (US) 1985-06-18 — — US disclosed
US-4412077-A Process for preparing 5-(lower-alkanoyl)-6-(lower-alkyl)-2(1H)-pyridinone STERLING DRUG INC. (US) 1983-10-25 — — US disclosed
EP-0089022-A2 Alkanoylpyridinones useful as cardiotonics and preparation thereof STERLING DRUG INC. (US) 1983-09-21 — — EP disclosed
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