SCHEMBL4430692

SCHEMBL4430692

O=C(O)c1ccc(Cc2cccc(-c3ccccc3)c2)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ACMSD Q8TDX5 3/20 0.51
HRH3 Q9Y5N1 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP12 P39900 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
HNF4A P41235 1/20 0.43
PTPN1 P18031 1/20 0.43
DCLRE1A Q6PJP8 1/20 0.42
DCLRE1B Q9H816 1/20 0.42
KDM4A O75164 3/20 0.42
KDM5B Q9UGL1 3/20 0.42

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
SCHEMBL4432424 0.89 HNF4A (0.49) KDM4EACMSDHNF4APTPN1KDM4A
SCHEMBL4433258 0.87 KDM4E (0.55) KDM4EACMSDGPR84HNF4APTPN1
SCHEMBL3912930 0.87 KDM4E (0.53) KDM4EHNF4APTPN1KDM4AKDM5B
SCHEMBL4438532 0.86 ALDH1A1 (0.47) KDM4EACMSDHRH3GPR84MMP1
SCHEMBL4428237 0.84 KDM4E (0.50) KDM4EHNF4APTPN1KDM4AKDM5B
SCHEMBL4438623 0.83 HCAR2 (0.54) KDM4EMMP1MMP2MMP12DCLRE1B
SCHEMBL4380912 0.83 HCAR2 (0.54) KDM4EMMP1MMP2MMP12KDM4A
SCHEMBL4431491 0.83 HCAR2 (0.54) KDM4EMMP1MMP2MMP12KDM4A
SCHEMBL4438787 0.83 KDM4E (0.41) KDM4EACMSDHNF4AKDM4AKDM5B
SCHEMBL4431596 0.82 KDM4E (0.45) KDM4EHNF4ADHODH

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