SCHEMBL4430955

SCHEMBL4430955

O=C(O)c1ccc(CCC(c2ccccc2)c2ccccc2)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
KDM6B O15054 6/20 0.44
KDM4A O75164 6/20 0.44
KDM4D Q6B0I6 6/20 0.44
HIF1AN Q9NWT6 6/20 0.44
KDM2A Q9Y2K7 6/20 0.44
KDM5B Q9UGL1 5/20 0.44
KDM3B Q7LBC6 5/20 0.44
HTR1B P28222 2/20 0.39
HRH1 P35367 1/20 0.39
NAPRT Q6XQN6 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CYP19A1 P11511 2/20 0.37
MTOR P42345 1/20 0.37
EPHX2 P34913 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GALR3 O60755 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4432510 0.85 KDM4E (0.49) KDM4EHTR1BMTNR1AMTNR1BMTOR
SCHEMBL4428193 0.80 DAO (0.54) KDM4EKDM6BKDM4AKDM4DHIF1AN
SCHEMBL3912930 0.74 KDM4E (0.53) KDM4EKDM6BKDM4AKDM4DHIF1AN
SCHEMBL9339112 0.73 MAPT (0.49) KDM4EKDM6BKDM4AKDM4DHIF1AN
SCHEMBL4428237 0.72 KDM4E (0.50) KDM4EKDM6BKDM4AKDM4DHIF1AN
SCHEMBL2592545 0.72 KDM4E (0.49) KDM4EKDM6BKDM4AKDM4DHIF1AN
SCHEMBL4427252 0.71 KDM4E (0.53) KDM4EKDM6BKDM4AKDM4DHIF1AN
SCHEMBL9337517 0.71 KDM4E (0.45) KDM4EKDM6BKDM4AKDM4DHIF1AN
SCHEMBL4433258 0.70 KDM4E (0.55) KDM4EKDM6BKDM4AKDM4DHIF1AN
SCHEMBL4428820 0.70 KDM4E (0.47) KDM4EKDM6BKDM4AKDM4DHIF1AN

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