SCHEMBL4428809

SCHEMBL4428809

COC(=O)c1ccc(Cc2cccc(F)c2)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.48
KDM4E B2RXH2 4/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
HCAR2 Q8TDS4 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4438837 0.86 ALDH1A1 (0.49) DAOKDM4EGAAGLAALDH1A1
SCHEMBL4430805 0.85 KDM4E (0.47) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL4437957 0.85 PDE3B (0.51) DAOKDM4EGAAGLAALDH1A1
SCHEMBL3913842 0.84 KDM4E (0.51) DAOKDM4EGAAGLAALDH1A1
SCHEMBL4438623 0.84 HCAR2 (0.54) DAOKDM4EHCAR2MMP1MMP2
SCHEMBL5154097 0.84 KDM4E (0.54) KDM4EGAAGLAALDH1A1L3MBTL1
SCHEMBL4438532 0.84 ALDH1A1 (0.47) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL4428291 0.81 KDM4E (0.48) DAOKDM4EGAAGLAALDH1A1
SCHEMBL18796640 0.78 PDE3B (0.61) DAOKDM4EALDH1A1L3MBTL1HPGD
SCHEMBL9938816 0.78 MAOB (0.50) KDM4EGAAALDH1A1L3MBTL1HPGD

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