SCHEMBL4433934

SCHEMBL4433934

COC(=O)c1ccc(Cc2ccc(Br)cc2)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
GAA P10253 2/20 0.51
GLA P06280 2/20 0.51
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SLC6A3 Q01959 1/20 0.40
MAPT P10636 4/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR4A2 P43354 1/20 0.39
CHEK1 O14757 1/20 0.38
KMT2A Q03164 4/20 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
SCHEMBL3913842 0.86 KDM4E (0.51) KDM4EGAAGLAALDH1A1HPGD
SCHEMBL5154097 0.86 KDM4E (0.54) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL4430805 0.84 KDM4E (0.47) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL4426842 0.84 KDM4E (0.49) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL4432534 0.84 KDM4E (0.49) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL4430485 0.82 KDM4E (0.41) KDM4EGAAPDE3BPDE3AALDH1A1
SCHEMBL4428291 0.80 KDM4E (0.48) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL4438837 0.80 ALDH1A1 (0.49) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL4431808 0.80 KDM4E (0.50) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL4426834 0.78 ALDH1A1 (0.54) KDM4EGAAGLAPDE3BPDE3A

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