SCHEMBL6089097

SCHEMBL6089097

Cc1cccc(COc2cccc(OCc3cccc(Oc4ccccc4)c3)c2)c1OCC#N

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.45
MAOB P27338 3/20 0.42
FFAR4 Q5NUL3 2/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
LTA4H P09960 2/20 0.40
PLA2G2A P14555 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR4A2 P43354 2/20 0.40

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
SCHEMBL6088875 0.89 MAOB (0.53) MAOBMRGPRX4
SCHEMBL6088282 0.86 ALOX5 (0.42) MRGPRX4
SCHEMBL6091382 0.85 CCNB2 (0.40) MAOBSMN1; SMN2NR4A2
SCHEMBL6090892 0.84 BCHE (0.40) FFAR1MAOBNR4A2
SCHEMBL6089755 0.84 TSHR (0.45) FFAR1MAOBMRGPRX4SMN1; SMN2NR4A2
SCHEMBL6088358 0.84 BCHE (0.38) FFAR1MAOBMRGPRX4NR4A2
SCHEMBL6088820 0.82 FFAR1 (0.55) FFAR1FFAR4MRGPRX4LTA4HPLA2G2A
SCHEMBL6089979 0.82 MRGPRX4 (0.41) FFAR1MAOBMRGPRX4NR4A2
SCHEMBL6088303 0.82 NOS3 (0.46) MAOBSMN1; SMN2
SCHEMBL27484684 0.82 SLC22A12 (0.40) FFAR1MAOBMRGPRX4

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