SCHEMBL9327396

SCHEMBL9327396

CC(C)c1cnc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
ASPH Q12797 4/20 0.38
KDM8 Q8N371 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DHODH Q02127 2/20 0.37

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
SCHEMBL10679686 0.86 FABP3 (0.36) KDM4EL3MBTL1ALDH1A1FABP3FABP4
SCHEMBL9700766 0.81 KDM4E (0.40) KDM4EL3MBTL1ALDH1A1CYP3A4MAPT
SCHEMBL8547768 0.81 KDM4E (0.40) KDM4EL3MBTL1ALDH1A1CYP3A4MAPT
SCHEMBL14240074 0.81 EGLN1 (0.45) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL26204900 0.81 KDM4E (0.40) KDM4EL3MBTL1ALDH1A1FABP3FABP4
SCHEMBL24510627 0.81 FABP3 (0.40) KDM4EALDH1A1MAPTFABP3FABP4
SCHEMBL8545718 0.81 KDM4E (0.37) KDM4EL3MBTL1ALDH1A1CYP3A4MAPT
SCHEMBL18289562 0.80 ALDH1A1 (0.39) KDM4EALDH1A1MAPTFABP3FABP4
SCHEMBL26726844 0.77 POLB (0.40) KDM4EL3MBTL1ALDH1A1MAPTTSHR
SCHEMBL17667393 0.76 KDM6B (0.33) KDM4EL3MBTL1ALDH1A1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5288866-A Chemical intermediates in the preparation of purity herbicides AMERICAN CYANAMID COMPANY (US) 1994-02-22 US 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