SCHEMBL7501566

SCHEMBL7501566

CCOC(=O)CC(=O)c1ccc(Br)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MIF P14174 1/20 0.40
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 5/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
NLRP3 Q96P20 1/20 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
SCHEMBL7508162 0.90 MGAM (0.40) MGAMGAASIMGAM2MIF
SCHEMBL4758550 0.90 MIF (0.42) MGAMGAASIMGAM2MIF
SCHEMBL7503032 0.87 MIF (0.38) MGAMGAASIMGAM2MIF
SCHEMBL589507 0.86 KMT2A (0.51) MGAMGAASIMGAM2MIF
SCHEMBL7502265 0.85 SOS1 (0.41) MGAMGAASIMGAM2MIF
SCHEMBL312535 0.84 CES2 (0.47) MGAMGAASIMGAM2MIF
SCHEMBL7506686 0.83 KMT2A (0.39) MGAMGAASIMGAM2MIF
SCHEMBL24047677 0.81 GAA (0.40) MGAMGAASIMGAM2MIF
SCHEMBL30212166 0.81 GAA (0.40) MGAMGAASIMGAM2MIF
SCHEMBL21857955 0.81 F2R (0.44) MGAMGAASIMGAM2MIF

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-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