SCHEMBL9837598

SCHEMBL9837598

COC(=O)c1nccc(C)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
KDM6B O15054 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ASPH Q12797 2/20 0.40
KDM8 Q8N371 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
ALOX15 P16050 2/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL30047213 0.89 L3MBTL1 (0.47) KDM4EL3MBTL1KDM6BKDM5CKDM4C
SCHEMBL23857227 0.89 L3MBTL1 (0.47) KDM4EL3MBTL1KDM6BKDM5CKDM4C
SCHEMBL30049082 0.83 KDM4E (0.50) KDM4EL3MBTL1KDM6BKDM5CKDM4C
SCHEMBL9684174 0.83 KDM4E (0.50) KDM4EL3MBTL1KDM6BKDM5CKDM4C
SCHEMBL28582520 0.82 KDM4E (0.48) KDM4EL3MBTL1KDM6BKDM5CKDM4C
SCHEMBL28956330 0.81 KDM4E (0.46) KDM4EL3MBTL1KDM6BKDM5CKDM4C
SCHEMBL28330383 0.81 CA12 (0.50) KDM4EL3MBTL1KDM6BKDM5CKDM4C
SCHEMBL6578250 0.80 KDM4E (0.43) KDM4EL3MBTL1KDM6BKDM5CKDM4C
Cyclopropane SCHEMBL11660772 0.79 KDM4E (0.46) KDM4EL3MBTL1MAPK1KMT2AALDH1A1
SCHEMBL9509719 0.77 LMNA (0.48) L3MBTL1MAPK1ALDH1A1SMN1; SMN2TSHR

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
CN-117980303-A Novel compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-05-03 CN disclosed
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 CN disclosed
CN-109053559-A The preparation method of 5- methoxyl methyl -2,3- pyridinedicarboxylic acid dimethyl ester 江苏省农用激素工程技术研究中心有限公司 2018-12-21 CN disclosed
EP-0161221-B1 PROCESS FOR THE PREPARATION OF PYRIDINE-2,3-DICARBOXYLIC-ACID DERIVATIVES AND OF 1-AMINO-1,4-DIHYDROPYRIDINE-2,3-DICARBOXYLIC-ACID DERIVATIVES CIBA-GEIGY AG (CH) 1991-07-10 EP disclosed
US-4748244-A HERBICIDE INTERMEDIATES CIBA-GEIGY CORPORATION (US) 1988-05-31 US disclosed
EP-0161221-A2 Process for the preparation of pyridine-2,3-dicarboxylic-acid derivatives and of 1-amino-1,4-dihydropyridine-2,3-dicarboxylic-acid derivatives CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed