SCHEMBL6092367

SCHEMBL6092367

COc1ccc2nc(COc3cccc(OCc4cccc(C)c4OCC(=O)O)c3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
CYSLTR1 Q9Y271 8/20 0.47
GPBAR1 Q8TDU6 2/20 0.47
CYSLTR2 Q9NS75 6/20 0.47
PPARD Q03181 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL6087773 0.89 CYSLTR1 (0.52) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089372 0.88 CYSLTR1 (0.62) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6088658 0.86 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2PPARGMRGPRX4
SCHEMBL6088975 0.86 CYSLTR1 (0.46) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6091468 0.86 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6088899 0.84 GPBAR1 (0.61) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089679 0.84 GPBAR1 (0.43) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089086 0.84 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2
SCHEMBL6089419 0.84 CYSLTR1 (0.44) LMNACYSLTR1CYSLTR2PPARDPPARA
SCHEMBL6089456 0.83 CYSLTR1 (0.54) 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