SCHEMBL6089332

SCHEMBL6089332

Cc1cccc(COc2cccc(OCc3ccccc3Cl)c2)c1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
SLC26A4 O43511 3/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
MAOB P27338 3/20 0.52
MAOA P21397 1/20 0.52
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
GCK P35557 1/20 0.51
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
TRPM4 Q8TD43 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
FABP4 P15090 1/20 0.46
FABP5 Q01469 1/20 0.46
POLB P06746 1/20 0.46
PTGER4 P35408 1/20 0.45
ALKBH1 Q13686 1/20 0.45

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
SCHEMBL6088674 0.89 SLC26A4 (0.63) NR4A2NPC1RAB9ASLC26A4MEN1
SCHEMBL6088567 0.89 NR4A2 (0.67) NR4A2NPC1RAB9ASLC26A4MEN1
SCHEMBL6090155 0.87 NR4A2 (0.57) NR4A2NPC1RAB9ASLC26A4MEN1
SCHEMBL4450809 0.86 NR4A2 (0.58) NR4A2SLC26A4MEN1KMT2AMAOB
SCHEMBL6088680 0.85 NR4A2 (0.62) NR4A2NPC1RAB9ASLC26A4MEN1
SCHEMBL6088483 0.84 SLC26A4 (0.52) NR4A2NPC1RAB9ASLC26A4MEN1
SCHEMBL6090532 0.84 SLC26A4 (0.51) NR4A2NPC1RAB9ASLC26A4MEN1
SCHEMBL4451992 0.83 SLC26A4 (0.53) NR4A2NPC1RAB9ASLC26A4MEN1
SCHEMBL6090535 0.83 NPC1 (0.55) NR4A2NPC1RAB9ASLC26A4MEN1
SCHEMBL6087956 0.82 PTGER4 (0.55) NR4A2SLC26A4MAOBFFAR1FFAR4

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