SCHEMBL6166241

SCHEMBL6166241

CCC(=O)Cn1ccc(C(=O)O)cc1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
PLA2G4A P47712 3/20 0.39
KDM5A P29375 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
GRIN2B Q13224 1/20 0.36
PSMB5 P28074 2/20 0.35
MCHR1 Q99705 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HCAR3 P49019 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL4246332 0.83 POLB (0.47) POLBKDM5AKDM4CKDM5BALDH1A1
SCHEMBL13522478 0.80 POLB (0.44) POLBKDM5AKDM4CKDM5BALDH1A1
SCHEMBL6165302 0.79 GRIN2B (0.44) GRIN2BMCHR1
SCHEMBL841380 0.77 HCAR3 (0.46) POLBKDM5AKDM4CKDM5BALDH1A1
SCHEMBL13522483 0.76 KDM4E (0.47) PLA2G4AKDM5AKDM4CKDM5BALDH1A1
SCHEMBL20592531 0.76 HDAC6 (0.52) POLBPLA2G4AMCHR1ALDH1A1MEN1
SCHEMBL1014690 0.75 B3GNT2 (0.47) POLBKDM5AKDM4CKDM5BGRIN2B
SCHEMBL4250812 0.74 HCAR3 (0.49) POLBALDH1A1RAB9AKMT2AHCAR3
SCHEMBL13522487 0.73 ALDH1A1 (0.37) POLBKDM5AKDM4CKDM5BALDH1A1
SCHEMBL2583269 0.73 ALDH1A1 (0.54) KDM5AKDM4CKDM5BALDH1A1HCAR3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100346792-C Benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2007-11-07 CN claimed
EP-1448196-B1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2005-10-12 EP claimed
CN-1589146-A Benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2005-03-02 CN claimed
US-6599901-B1 Adenosine receptor ligands used in the control or prevention of illnesses based on the modulation of the adenosine system, such as Alzheimer's disease HOFFMAN-LA ROCHE INC. 2003-07-29 US claimed
CN-100346792-C Benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2007-11-07 CN disclosed
EP-1448196-B1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2005-10-12 EP disclosed
CN-1589146-A Benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2005-03-02 CN disclosed
US-6599901-B1 Adenosine receptor ligands used in the control or prevention of illnesses based on the modulation of the adenosine system, such as Alzheimer's disease HOFFMAN-LA ROCHE INC. 2003-07-29 US disclosed