SCHEMBL6091367

SCHEMBL6091367

Cc1cccc(COc2cccc(OCc3cccc(Oc4ccccc4)c3)c2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.53
FFAR4 Q5NUL3 2/20 0.53
P2RX3 P56373 2/20 0.50
MRGPRX4 Q96LA9 2/20 0.50
SLC26A4 O43511 1/20 0.49
NR4A2 P43354 2/20 0.49
LTA4H P09960 1/20 0.48
PLA2G2A P14555 1/20 0.48
PTGER4 P35408 1/20 0.48
ALKBH1 Q13686 1/20 0.47

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
SCHEMBL4450809 0.91 NR4A2 (0.58) MRGPRX4SLC26A4NR4A2PTGER4
SCHEMBL6089804 0.90 FFAR1 (0.50) FFAR1FFAR4MRGPRX4LTA4HPLA2G2A
SCHEMBL6088674 0.86 SLC26A4 (0.63) FFAR1SLC26A4NR4A2PTGER4
SCHEMBL6087927 0.85 MRGPRX4 (0.53) MRGPRX4SLC26A4NR4A2
SCHEMBL6090965 0.85 MRGPRX4 (0.60) FFAR1FFAR4MRGPRX4
SCHEMBL6087956 0.84 PTGER4 (0.55) FFAR1FFAR4MRGPRX4SLC26A4NR4A2
SCHEMBL6088820 0.84 FFAR1 (0.55) FFAR1FFAR4MRGPRX4NR4A2LTA4H
SCHEMBL6092100 0.82 RXRA (0.51) MRGPRX4SLC26A4NR4A2PTGER4
SCHEMBL6088680 0.81 NR4A2 (0.62) MRGPRX4SLC26A4NR4A2
SCHEMBL6091862 0.81 SLC26A4 (0.52) FFAR1FFAR4SLC26A4NR4A2PTGER4

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