SCHEMBL6578775

SCHEMBL6578775

CCCCCCCCCCc1ccc2c(O)c(OC)c(=O)n(C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.45
RORC P51449 1/20 0.45
RORB Q92753 1/20 0.45
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
GSK3B P49841 2/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
KAT8 Q9H7Z6 2/20 0.40
CNR2 P34972 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
PTGS2 P35354 1/20 0.40
ALOX5 P09917 4/20 0.40
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
SHBG P04278 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 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
SCHEMBL6581975 1.00 RORA (0.45) RORARORCRORBPPARAPPARG
SCHEMBL6576521 0.82 KDM4E (0.47) GSK3BKDM4EALDH1A1GAACNR2
SCHEMBL6582077 0.81 GSK3B (0.42) GSK3BKDM4EALDH1A1GAACNR2
SCHEMBL7988963 0.81 GSK3B (0.42) GSK3BKDM4EALDH1A1GAACNR2
SCHEMBL7998792 0.81 GSK3B (0.42) GSK3BKDM4EALDH1A1GAACNR2
SCHEMBL7974952 0.80 RORA (0.49) RORARORCRORBPPARAGSK3B
SCHEMBL6579398 0.78 KDM4E (0.49) GSK3BKDM4EALDH1A1GAACNR2
SCHEMBL7988841 0.78 KDM4E (0.41) RORARORCRORBGSK3BKDM4E
SCHEMBL6581774 0.77 KDM4E (0.43) KDM4EALDH1A1GAAHPGDESR1
SCHEMBL6579613 0.76 ALDH1A1 (0.51) KDM4EALDH1A1GAAHSD17B10HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed