SCHEMBL6089152

SCHEMBL6089152

Cc1cc(Cl)cc(COc2cccc(OCCc3ccccn3)c2)c1OCC#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.36
PPARG P37231 1/20 0.36
HPGD P15428 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TLR4 O00206 1/20 0.33
TLR2 O60603 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCB1 P08183 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
IDH1 O75874 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL5725263 0.88 SCN8A (0.38) FFAR1PPARGCD274KDM4ETDP1
SCHEMBL6088562 0.84 PPARG (0.43) FFAR1PPARGKDM4ETDP1LMNA
SCHEMBL6089925 0.79 ABCB1 (0.42) FFAR1CD274KDM4ETLR4TLR2
SCHEMBL6090588 0.79 NR4A2 (0.39) HTTCYP3A4NPC1NR4A2RAB9A
SCHEMBL6089070 0.79 CYSLTR1 (0.52)
SCHEMBL6089139 0.75 SMN1; SMN2 (0.36) FFAR1PPARGLMNAMAPTHTT
SCHEMBL6090141 0.74 CYSLTR1 (0.44)
SCHEMBL6091382 0.72 CCNB2 (0.40) KDM4ELMNAMAPTHTTDRD2
SCHEMBL6088500 0.71 PTGDR2 (0.46) FFAR1PPARGKDM4ETDP1LMNA
SCHEMBL6090892 0.70 BCHE (0.40) FFAR1NR4A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed