SCHEMBL6089419

SCHEMBL6089419

COc1ccc2nc(COCc3cccc(OCCc4cccc(C)c4OCC(=O)O)c3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.44
CYSLTR2 Q9NS75 5/20 0.42
PPARD Q03181 4/20 0.41
FFAR1 O14842 3/20 0.41
PPARA Q07869 2/20 0.40
LMNA P02545 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6089407 0.84 CYSLTR1 (0.41) CYSLTR1CYSLTR2PPARDFFAR1PPARA
SCHEMBL6092367 0.84 LMNA (0.48) CYSLTR1CYSLTR2PPARDPPARALMNA
SCHEMBL6090709 0.82 CYSLTR1 (0.55) CYSLTR1CYSLTR2ALOX5
SCHEMBL6088343 0.78 MAPT (0.41) CYSLTR1ALOX5MAPTHTTSMN1; SMN2
SCHEMBL7461198 0.76 CYSLTR1 (0.48) CYSLTR1CYSLTR2PPARDFFAR1PPARA
SCHEMBL6090373 0.75 MRGPRX4 (0.59) PPARDFFAR1PPARALMNASMN1; SMN2
SCHEMBL6088921 0.74 CYSLTR1 (0.58) CYSLTR1CYSLTR2ALOX5
SCHEMBL6088023 0.73 MAPT (0.46) CYSLTR1CYSLTR2ALOX5MAPTHTT
SCHEMBL6087773 0.73 CYSLTR1 (0.52) CYSLTR1CYSLTR2
SCHEMBL6089262 0.73 CYSLTR1 (0.53) CYSLTR1CYSLTR2ALOX5

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