SCHEMBL7500765

SCHEMBL7500765

Nc1ccc(C(=O)O)c(F)c1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KEAP1 Q14145 1/20 0.47
KMT2A Q03164 3/20 0.41
GFER P55789 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
USP2 O75604 2/20 0.40
MEN1 O00255 2/20 0.40
THRB P10828 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
MCL1 Q07820 1/20 0.40
GLA P06280 1/20 0.39

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
SCHEMBL23581891 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10KEAP1
SCHEMBL753289 0.84 KEAP1 (0.46) KDM4EALDH1A1HPGDHSD17B10KEAP1
SCHEMBL15962070 0.81 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10KEAP1
SCHEMBL8786682 0.81 CES2 (0.42) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL31439012 0.80 CFTR (0.56) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL18113432 0.79 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10KEAP1
SCHEMBL600522 0.78 KEAP1 (0.55) KDM4EALDH1A1HPGDHSD17B10KEAP1
SCHEMBL29625095 0.78 NOTUM (0.44) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL24276000 0.78 NOTUM (0.44) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL29625097 0.78 NOTUM (0.44) KDM4EALDH1A1HPGDHSD17B10USP2

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
CN-100395244-C Quinolone carboxylic acid derivatives or their salts TOYAMA CHEMICAL CO LTD (JP) 2008-06-18 CN disclosed
EP-0882725-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2002-12-18 EP disclosed
US-6025370-A METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS TOYAMA CHEMICAL CO., LTD. (JP) 2000-02-15 US disclosed
EP-0882725-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1998-12-09 EP disclosed