SCHEMBL4433217

SCHEMBL4433217

O=C(O)c1ccc(Cc2cc(F)cc(F)c2)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HCAR2 Q8TDS4 1/20 0.39
KDM5B Q9UGL1 5/20 0.37
KDM5A P29375 3/20 0.37
KDM4A O75164 4/20 0.37
KDM4C Q9H3R0 2/20 0.37
DAO P14920 3/20 0.36
BRS3 P32247 1/20 0.36
KDM6B O15054 2/20 0.36
KDM4D Q6B0I6 2/20 0.36
HIF1AN Q9NWT6 2/20 0.36
KDM2A Q9Y2K7 2/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4438623 0.87 HCAR2 (0.54) KDM4EHCAR2DAOBRS3MMP1
SCHEMBL4376037 0.87 KDM5B (0.41) KDM4EKDM5BKDM5AKDM4AKDM4C
SCHEMBL3917621 0.86 DAO (0.46) KDM4EKDM5BKDM5AKDM4AKDM4C
SCHEMBL4428696 0.85 DAO (0.43) KDM4EHCAR2KDM5BKDM5ADAO
SCHEMBL4372824 0.82 KDM5A (0.55) KDM4EKDM5BKDM5AKDM4AKDM4C
SCHEMBL4438025 0.82 KDM4E (0.41) KDM4EHCAR2KDM5BKDM5AKDM4A
SCHEMBL4430818 0.82 KDM4C (0.45) KDM4EHCAR2KDM5BKDM5AKDM4A
SCHEMBL3912930 0.81 KDM4E (0.53) KDM4EHCAR2KDM5BKDM5AKDM4A
SCHEMBL4428237 0.78 KDM4E (0.50) KDM4EHCAR2KDM5BKDM5AKDM4A
SCHEMBL11836193 0.78 KDM4E (0.42) KDM4EKDM5BKDM5AKDM4AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed