SCHEMBL4785237

SCHEMBL4785237

C#CCC(O)c1cc2ccccc2nc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.45
PPARA Q07869 6/20 0.45
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
STAT3 P40763 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
PDE5A O76074 1/20 0.39
ADAMTS4 O75173 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4738692 0.80 PPARA (0.65) PPARGPPARAHTTSMN1; SMN2STAT3
SCHEMBL4740398 0.78 HTT (0.40) PPARGPPARAHTTSMN1; SMN2STAT3
SCHEMBL4740384 0.76 L3MBTL1 (0.52) HTTSMN1; SMN2STAT3L3MBTL1ALDH1A1
SCHEMBL30986715 0.73 L3MBTL1 (0.55) HTTSMN1; SMN2STAT3L3MBTL1ALDH1A1
SCHEMBL1551850 0.70 L3MBTL1 (0.55) HTTSMN1; SMN2STAT3L3MBTL1LMNA
SCHEMBL31574614 0.70 L3MBTL1 (0.55) HTTSMN1; SMN2STAT3L3MBTL1ALDH1A1
SCHEMBL28485531 0.70 L3MBTL1 (0.64) HTTSMN1; SMN2STAT3L3MBTL1ALDH1A1
SCHEMBL22397981 0.68 LMNA (0.53) HTTSMN1; SMN2L3MBTL1LMNAHPGD
SCHEMBL4740388 0.67 ALDH1A1 (0.69) HTTSMN1; SMN2STAT3L3MBTL1ALDH1A1
SCHEMBL6566120 0.65 HTT (0.59) HTTSMN1; SMN2STAT3L3MBTL1ALDH1A1

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