SCHEMBL6091032

SCHEMBL6091032

Cc1cccc(COc2cccc(OCc3cccc(Cl)n3)c2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MRGPRX4 Q96LA9 5/20 0.46
SLC26A4 O43511 2/20 0.45
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
CYSLTR1 Q9Y271 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.41
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
PPARG P37231 1/20 0.41
CYSLTR2 Q9NS75 1/20 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
SCHEMBL6088508 0.88 CYSLTR1 (0.44) NR4A2NPC1RAB9AMRGPRX4CYSLTR1
SCHEMBL6088808 0.84 SLC26A4 (0.46) NR4A2NPC1RAB9AMRGPRX4SLC26A4
SCHEMBL6090629 0.84 CYSLTR1 (0.54) NR4A2MRGPRX4NR4A1NR4A3CYSLTR1
SCHEMBL6089761 0.83 GPR132 (0.49) NR4A2NPC1RAB9ASLC26A4PPARG
SCHEMBL5725146 0.82 CYSLTR1 (0.67) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089332 0.82 NR4A2 (0.67) NR4A2NPC1RAB9AMRGPRX4SLC26A4
SCHEMBL6088674 0.81 SLC26A4 (0.63) NR4A2NPC1RAB9ASLC26A4MEN1
SCHEMBL6088614 0.81 CYSLTR1 (0.50) NR4A2NPC1RAB9ASLC26A4CYSLTR1
SCHEMBL6088680 0.80 NR4A2 (0.62) NR4A2NPC1RAB9AMRGPRX4SLC26A4
SCHEMBL6088483 0.79 SLC26A4 (0.52) NR4A2NPC1RAB9AMRGPRX4SLC26A4

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 1 patent. 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