SCHEMBL6090791

SCHEMBL6090791

Cc1cccc(COc2cccc(OCc3cc4ccc(Cl)cc4cn3)c2)c1OCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
NR4A2 P43354 4/20 0.44
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
PPARD Q03181 4/20 0.41
PPARG P37231 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DHFR P00374 1/20 0.40
S1PR1 P21453 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6089086 0.86 CYSLTR1 (0.51) PTGDR2NR4A2NR4A1NR4A3
SCHEMBL6088420 0.83 NR4A2 (0.38) NR4A2NR4A1NR4A3NPC1RAB9A
SCHEMBL6088975 0.81 CYSLTR1 (0.46) PTGDR2NR4A2NPC1RAB9A
SCHEMBL6090648 0.80 MEN1 (0.48) PTGDR2NR4A2NPC1RAB9ALMNA
SCHEMBL6089372 0.79 CYSLTR1 (0.62)
SCHEMBL6090684 0.79 NR4A2 (0.46) PTGDR2NR4A2NR4A1NR4A3NPC1
SCHEMBL6089340 0.79 PTGDR2 (0.48) PTGDR2NR4A2PPARGNPC1RAB9A
SCHEMBL6091468 0.77 CYSLTR1 (0.51) PTGDR2
SCHEMBL6092205 0.77 PTGDR2 (0.53) PTGDR2NR4A2PPARDPPARGNPC1
SCHEMBL6089768 0.77 MRGPRX4 (0.49) PTGDR2PPARDPPARGMRGPRX4

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