SCHEMBL6088697

SCHEMBL6088697

Cc1cccc(COc2cccc(OCCOc3ccccn3)c2)c1OCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.46
LMNA P02545 1/20 0.41
PPARG P37231 4/20 0.40
PPARD Q03181 3/20 0.40
PLA2G4B P0C869 1/20 0.39
SLC26A4 O43511 1/20 0.39
NPC1 O15118 1/20 0.39
NR4A2 P43354 1/20 0.39
RAB9A P51151 1/20 0.39
FFAR1 O14842 2/20 0.39
PPARA Q07869 1/20 0.39
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
DHFR P00374 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37

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
SCHEMBL6092205 0.89 PTGDR2 (0.53) PTGDR2LMNAPPARGPPARDPLA2G4B
SCHEMBL6088500 0.87 PTGDR2 (0.46) PTGDR2LMNAPPARGPPARDPLA2G4B
SCHEMBL6089340 0.86 PTGDR2 (0.48) PTGDR2LMNAPPARGNPC1NR4A2
SCHEMBL6089251 0.85 SLC26A4 (0.49) LMNAPPARGSLC26A4NPC1NR4A2
SCHEMBL6089139 0.82 SMN1; SMN2 (0.36) LMNAPPARGNPC1NR4A2RAB9A
SCHEMBL6090183 0.82 PTGER1 (0.50) PTGDR2LMNAPPARGPPARDPLA2G4B
SCHEMBL6091148 0.81 PTGDR2 (0.47) PTGDR2LMNAPPARGPPARDNR4A2
SCHEMBL6088801 0.78 GPR132 (0.51) PPARGPPARDPPARA
SCHEMBL6089768 0.78 MRGPRX4 (0.49) PTGDR2PPARGPPARDPLA2G4BFFAR1
SCHEMBL6088820 0.78 FFAR1 (0.55) PTGDR2PPARDNR4A2FFAR1PTGER1

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