SCHEMBL4429595

SCHEMBL4429595

CC(C)c1ccccc1-c1ccccc1Cc1ccc(C(=O)O)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
BRS3 P32247 6/20 0.37
KDM6B O15054 3/20 0.36
KDM4A O75164 3/20 0.36
KDM4D Q6B0I6 3/20 0.36
HIF1AN Q9NWT6 3/20 0.36
KDM5B Q9UGL1 3/20 0.36
KDM2A Q9Y2K7 3/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MMP14 P50281 1/20 0.35
KDM3B Q7LBC6 2/20 0.35
PTGER4 P35408 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
MCL1 Q07820 2/20 0.35
BAD Q92934 1/20 0.35
CAPN1 P07384 1/20 0.34
BCL2 P10415 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
SCHEMBL4432204 0.90 KDM4E (0.43) KDM4EBRS3KDM6BKDM4AKDM4D
SCHEMBL4433040 0.85 MDM2 (0.41) KDM4EMAPTMAPK1SMN1; SMN2PKM
SCHEMBL4438825 0.83 BRS3 (0.42) KDM4EBRS3MAPTSMN1; SMN2
SCHEMBL4433888 0.82 KDM4E (0.53) KDM4EBRS3KDM6BKDM4AKDM4D
SCHEMBL4438823 0.81 KDM4E (0.44) KDM4EBRS3KDM6BKDM4AKDM4D
SCHEMBL4430684 0.81 RXRA (0.41) KDM4EBRS3PTGER4MCL1
SCHEMBL4430746 0.78 CYP1A2 (0.48) KDM4EBRS3MAPTMAPK1SMN1; SMN2
SCHEMBL4430819 0.77 BRS3 (0.46) KDM4EBRS3
SCHEMBL4432530 0.76 KDM4E (0.47) KDM4EKDM6BKDM4AKDM4DHIF1AN
SCHEMBL4428820 0.76 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