SCHEMBL4430819

SCHEMBL4430819

O=C(O)c1ccc(Cc2ccccc2-c2ccc(F)cc2)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 9/20 0.46
KDM4E B2RXH2 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.42
LIPG Q9Y5X9 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL4433888 0.91 KDM4E (0.53) BRS3KDM4E
SCHEMBL4437699 0.86 SLC6A3 (0.55) BRS3KDM4EPTGDR2LIPGFFAR1
SCHEMBL4438825 0.84 BRS3 (0.42) BRS3KDM4ELTB4R2
SCHEMBL4430746 0.84 CYP1A2 (0.48) BRS3KDM4ESLC6A4SLC6A3
SCHEMBL3917621 0.78 DAO (0.46) BRS3KDM4E
SCHEMBL4438513 0.78 KDM4E (0.47) KDM4ESLC6A4SLC6A3
SCHEMBL4432530 0.77 KDM4E (0.47) KDM4E
SCHEMBL4428820 0.77 KDM4E (0.47) KDM4E
SCHEMBL4430684 0.77 RXRA (0.41) BRS3KDM4E
SCHEMBL4429595 0.77 KDM4E (0.40) BRS3KDM4E

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