SCHEMBL4738592

SCHEMBL4738592

O=C(O)CCCC#CCC(O)c1cc2ccccc2nc1OCCCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.68
PPARG P37231 10/20 0.68
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 0.41
FFAR1 O14842 1/20 0.39
HDAC3 O15379 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC4 P56524 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL4738651 0.96 PPARA (0.68) PPARAPPARGCYSLTR2CYSLTR1FFAR1
SCHEMBL4740472 0.90 PPARA (0.63) PPARAPPARGCYSLTR2CYSLTR1FFAR1
SCHEMBL4740467 0.90 PPARA (0.63) PPARAPPARGCYSLTR2CYSLTR1FFAR1
SCHEMBL4738692 0.90 PPARA (0.65) PPARAPPARGCYSLTR2CYSLTR1SMN1; SMN2
SCHEMBL4739535 0.89 PPARA (0.65) PPARAPPARGCYSLTR2CYSLTR1FFAR1
SCHEMBL4736217 0.88 PPARA (0.61) PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL4736308 0.87 PPARA (0.65) PPARAPPARGCYSLTR2CYSLTR1HDAC6
SCHEMBL4738676 0.86 PPARA (0.63) PPARAPPARGCYSLTR2CYSLTR1MEN1
SCHEMBL4739882 0.82 PPARA (0.59) PPARAPPARG
SCHEMBL4738645 0.80 PPARA (0.51) PPARAPPARGCYSLTR2CYSLTR1FFAR1

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
WO-2008081096-A2 QUINOLINYL DERIVATIVES, METHOD FOR PREPARING SAME, PHARMACEUTIC COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS HYPOGLYCEMIANT AND HYPOLIPEMIANT AGENTS LES LABORATOIRES SERVIER (FR) 2008-07-10 WO disclosed