SCHEMBL4438823

SCHEMBL4438823

CC(C)c1cccc(-c2ccccc2)c1Cc1ccc(C(=O)O)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
HNF4A P41235 1/20 0.37
RARA P10276 1/20 0.36
BRS3 P32247 4/20 0.35
CAMKK2 Q96RR4 1/20 0.35
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
HIF1AN Q9NWT6 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
PPARA Q07869 2/20 0.34
PPARG P37231 1/20 0.34
FFAR1 O14842 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL4429595 0.81 KDM4E (0.40) KDM4EBRS3KDM6BKDM4AKDM4D
SCHEMBL4432204 0.80 KDM4E (0.43) KDM4EBRS3KDM6BKDM4AKDM4D
SCHEMBL4433888 0.77 KDM4E (0.53) KDM4EHNF4ABRS3KDM6BKDM4A
SCHEMBL4438825 0.77 BRS3 (0.42) KDM4EBRS3SMN1; SMN2ALDH1A1GAA
SCHEMBL4430684 0.76 RXRA (0.41) KDM4EBRS3
SCHEMBL4433258 0.72 KDM4E (0.55) KDM4EHNF4ABRS3KDM6BKDM4A
SCHEMBL4430692 0.71 KDM4E (0.51) KDM4EHNF4AKDM6BKDM4AKDM4D
SCHEMBL4425949 0.71 NOTUM (0.42) KDM4EBRS3KDM6BKDM4AKDM4D
SCHEMBL3912930 0.71 KDM4E (0.53) KDM4EHNF4ABRS3KDM6BKDM4A
SCHEMBL4430819 0.70 BRS3 (0.46) KDM4EBRS3FFAR1

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