SCHEMBL6089407

SCHEMBL6089407

COc1ccc2nc(COCc3cccc(OC(C)c4cccc(C)c4OCC(=O)O)c3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 9/20 0.41
CYSLTR2 Q9NS75 7/20 0.41
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARD Q03181 3/20 0.39
FFAR1 O14842 2/20 0.39
PPARA Q07869 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX5 P09917 1/20 0.37
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL6089419 0.84 CYSLTR1 (0.44) CYSLTR1CYSLTR2MAPTHTTSMN1; SMN2
SCHEMBL6092367 0.77 LMNA (0.48) CYSLTR1CYSLTR2PPARDPPARALMNA
SCHEMBL6090709 0.75 CYSLTR1 (0.55) CYSLTR1CYSLTR2ALOX5
SCHEMBL6088572 0.72 MAPT (0.44) CYSLTR1MAPTHTTSMN1; SMN2ALOX5
SCHEMBL6088343 0.72 MAPT (0.41) CYSLTR1MAOBMAPTHTTSMN1; SMN2
SCHEMBL6088023 0.70 MAPT (0.46) CYSLTR1CYSLTR2MAOBMAPTHTT
SCHEMBL6089262 0.68 CYSLTR1 (0.53) CYSLTR1CYSLTR2ALOX5
SCHEMBL6088658 0.67 CYSLTR1 (0.51) CYSLTR1CYSLTR2ALOX5PPARG
SCHEMBL6090373 0.67 MRGPRX4 (0.59) MAOBSMN1; SMN2PPARDFFAR1PPARA
SCHEMBL10546719 0.67 CYSLTR1 (0.72) CYSLTR1SMN1; SMN2KDM4EPPARG

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