SCHEMBL6090684

SCHEMBL6090684

Cc1cccc(COc2cccc(OCc3cc(Cl)c4ccccc4n3)c2)c1OCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYSLTR1 Q9Y271 4/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
ALDH1A1 P00352 3/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYSLTR2 Q9NS75 3/20 0.43
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 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
SCHEMBL6090648 0.86 MEN1 (0.48) NR4A2NPC1RAB9ACYSLTR1PTGDR2
SCHEMBL6089372 0.85 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6088975 0.85 CYSLTR1 (0.46) NR4A2NPC1RAB9ACYSLTR1PTGDR2
SCHEMBL6088650 0.85 NR4A2 (0.41) NR4A2NPC1RAB9ACYSLTR1GPBAR1
SCHEMBL6089086 0.83 CYSLTR1 (0.51) NR4A2CYSLTR1PTGDR2GPBAR1CYSLTR2
SCHEMBL6089340 0.81 PTGDR2 (0.48) NR4A2NPC1RAB9APTGDR2KDM4E
SCHEMBL6088575 0.80 CYSLTR1 (0.54) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6582234 0.79 CYSLTR1 (0.61) NPC1CYSLTR1GPBAR1ALDH1A1TSHR
SCHEMBL6092205 0.79 PTGDR2 (0.53) NR4A2NPC1RAB9APTGDR2MAPK1
SCHEMBL6088899 0.79 GPBAR1 (0.61) CYSLTR1GPBAR1CYSLTR2

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