SCHEMBL7007708

SCHEMBL7007708

CCOC(=O)CC(=O)c1cc(F)c(Br)c(OC(F)F)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MIF P14174 1/20 0.35
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
NLRP3 Q96P20 1/20 0.32
MAPT P10636 4/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
P2RX7 Q99572 1/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL7811132 0.89 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMEN1MIF
SCHEMBL7010444 0.84 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EMEN1MIF
SCHEMBL10516112 0.83 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMEN1MIF
SCHEMBL7004953 0.82 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4EMEN1MIF
SCHEMBL7506686 0.81 KMT2A (0.39) ALDH1A1KMT2AKDM4EMEN1MIF
SCHEMBL2915243 0.80 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMEN1MIF
SCHEMBL7005401 0.79 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMEN1MIF
SCHEMBL2901699 0.78 KMT2A (0.40) ALDH1A1KMT2AKDM4EMEN1MIF
SCHEMBL966496 0.77 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4EMEN1MIF
SCHEMBL30181119 0.77 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4EMEN1MIF

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