SCHEMBL7010754

SCHEMBL7010754

CCOC(=O)CC(=O)c1cc(F)c(Br)c(COC(C)=O)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CA2 P00918 1/20 0.36
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TSHR P16473 1/20 0.33
NLRP3 Q96P20 1/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HPGD P15428 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL10516112 0.83 ALDH1A1 (0.41) MIFALDH1A1KMT2AKDM4EMEN1
SCHEMBL7004953 0.82 ALDH1A1 (0.40) MIFALDH1A1KMT2AKDM4EMEN1
SCHEMBL2915243 0.80 ALDH1A1 (0.41) MIFALDH1A1KMT2AKDM4EMEN1
SCHEMBL7008840 0.80 CA2 (0.42) ALDH1A1KMT2AKDM4EMEN1CA2
SCHEMBL7010444 0.77 ALDH1A1 (0.39) MIFALDH1A1KMT2AKDM4EMEN1
SCHEMBL30958584 0.76 ALDH1A1 (0.44) MIFALDH1A1KMT2AKDM4EMEN1
SCHEMBL1185918 0.76 ALDH1A1 (0.44) MIFALDH1A1KMT2AKDM4EMEN1
SCHEMBL7007708 0.76 ALDH1A1 (0.39) MIFALDH1A1KMT2AKDM4EMEN1
SCHEMBL3197468 0.76 ALDH1A1 (0.43) MIFALDH1A1KMT2AKDM4EMEN1
Acetic Acid SCHEMBL8870017 0.75 ALDH1A1 (0.41) MIFALDH1A1KMT2AKDM4EMEN1

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