SCHEMBL22345883

SCHEMBL22345883

O=C(O)c1cc(C(=O)O)oc(=O)c1.[NaH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
KMT2A Q03164 1/20 0.59
DAO P14920 1/20 0.42
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CSNK2A1 P68400 3/20 0.39
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
CSNK2A3 Q8NEV1 2/20 0.39
USP2 O75604 1/20 0.39
PTGS1 P23219 1/20 0.39
TPMT P51580 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 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
SCHEMBL1843937 0.98 KDM4E (0.61) KDM4EKMT2ADAOCA12CA1
SCHEMBL19303326 0.76 KDM4E (0.61) KDM4EKMT2ADAOCA12CA1
SCHEMBL6472513 0.74 KMT2A (0.54) KDM4EKMT2ADAOCA12CA1
SCHEMBL25171055 0.74 KDM4E (0.59) KDM4EKMT2ADAOCSNK2A1CSNK2A2
SCHEMBL2807136 0.74 KMT2A (1.00) KDM4EKMT2ADAOCA1CA9
SCHEMBL6550984 0.70 KMT2A (0.39) KDM4EKMT2AMAPT
SCHEMBL13490121 0.70 KDM4E (0.44) KDM4EKMT2AMAPTALDH1A1HSD17B10
SCHEMBL25167828 0.69 KDM4E (0.53) KDM4EKMT2ACSNK2A1CSNK2A2CSNK2B
SCHEMBL9452175 0.69 CA12 (0.61) KDM4EDAOCA12CA1CA2
SCHEMBL14810338 0.69 CA12 (0.61) KDM4EDAOCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3909947-A2 METHOD OF PRODUCING HIGH-PURITY 2-PYRONE-4,6-DICARBOXYLIC ACID AND METHOD OF PRODUCING INTERMEDIATE FOR SAME Korea Research Institute of Chemical Technology (KR) 2021-11-17 EP claimed
WO-2020165882-A4 METHOD OF PRODUCING HIGH-PURITY 2-PYRONE-4,6-DICARBOXYLIC ACID AND METHOD OF PRODUCING INTERMEDIATE FOR SAME 한국화학연구원 2021-06-24 WO claimed
WO-2020165882-A2 METHOD OF PRODUCING HIGH-PURITY 2-PYRONE-4,6-DICARBOXYLIC ACID AND METHOD OF PRODUCING INTERMEDIATE FOR SAME 한국화학연구원 2020-08-20 WO claimed
EP-3909947-A2 METHOD OF PRODUCING HIGH-PURITY 2-PYRONE-4,6-DICARBOXYLIC ACID AND METHOD OF PRODUCING INTERMEDIATE FOR SAME Korea Research Institute of Chemical Technology (KR) 2021-11-17 EP disclosed
WO-2020165882-A4 METHOD OF PRODUCING HIGH-PURITY 2-PYRONE-4,6-DICARBOXYLIC ACID AND METHOD OF PRODUCING INTERMEDIATE FOR SAME 한국화학연구원 2021-06-24 WO disclosed
WO-2020165882-A2 METHOD OF PRODUCING HIGH-PURITY 2-PYRONE-4,6-DICARBOXYLIC ACID AND METHOD OF PRODUCING INTERMEDIATE FOR SAME 한국화학연구원 2020-08-20 WO disclosed