SCHEMBL7006447

SCHEMBL7006447

Nc1c(F)cc(C(=O)O)c(F)c1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.38
KDM4E B2RXH2 7/20 0.37
ASPH Q12797 1/20 0.37
KDM8 Q8N371 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 5/20 0.33
CASP6 P55212 2/20 0.33
CDC25B P30305 1/20 0.33
RCE1 Q9Y256 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
KMT2A Q03164 4/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL543099 0.79 KEAP1 (0.40) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL27412251 0.79 KEAP1 (0.44) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL8377311 0.79 KDM4E (0.44) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL7006318 0.79 KEAP1 (0.37) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL3226637 0.75 KEAP1 (0.44) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL28226170 0.75 KDM4E (0.48) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL29706506 0.75 KEAP1 (0.44) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL2080319 0.74 KDM4E (0.44) KEAP1KDM4EASPHKDM8NFE2L2
SCHEMBL16850337 0.72 CES2 (0.42) KEAP1KDM4EASPHKDM8ALDH1A1
SCHEMBL19130667 0.72 KDM4E (0.50) KEAP1KDM4EASPHKDM8NFE2L2

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
EP-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP disclosed