SCHEMBL4439655

SCHEMBL4439655

COC(=O)c1ccc(Cc2ccccc2-c2cccc3ccccc23)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.45
MAPK9 P45984 5/20 0.45
MAPK10 P53779 5/20 0.45
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RCE1 Q9Y256 1/20 0.39
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4438513 0.84 KDM4E (0.47) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL4431012 0.82 SLC6A3 (0.58) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL4437699 0.81 SLC6A3 (0.55) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL4431808 0.80 KDM4E (0.50) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL4426834 0.79 ALDH1A1 (0.54) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL5154097 0.76 KDM4E (0.54) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL10010690 0.74 SLC6A3 (0.58) MAPK8MAPK9MAPK10KDM4EGAA
SCHEMBL4428291 0.73 KDM4E (0.48) MAPK8MAPK10KDM4EGAAGLA
SCHEMBL4438837 0.73 ALDH1A1 (0.49) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL4433040 0.72 MDM2 (0.41) KDM4EGAAPDE3BPDE3AMEN1

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