SCHEMBL6584582

SCHEMBL6584582

O=C(O)COc1ccc(OCC(=O)O)c(COc2cccc(OCc3ccc4ccccc4n3)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.63
CYSLTR2 Q9NS75 6/20 0.63
GPBAR1 Q8TDU6 5/20 0.61
ALOX5AP P20292 1/20 0.55
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
THPO P40225 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL6089814 0.91 CYSLTR1 (0.65) CYSLTR1CYSLTR2GPBAR1KDM4EMEN1
SCHEMBL6585862 0.91 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1ALOX5APKDM4E
SCHEMBL6583704 0.86 GPBAR1 (0.57) CYSLTR1CYSLTR2GPBAR1ALOX5APMAPT
SCHEMBL6089254 0.86 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL6090953 0.85 GPBAR1 (0.64) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL6089991 0.85 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1KDM4EMEN1
SCHEMBL6088484 0.84 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6582094 0.83 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL6088435 0.82 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6089372 0.81 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1

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-0784052-B1 Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation AVENTIS HOLDINGS INC (US) 2004-09-01 EP disclosed
EP-0784052-A1 Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1997-07-16 EP disclosed
WO-1989012628-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 WO disclosed
EP-0348155-A1 Quinoline derivatives as antagonists of leukotriene D4, compositions containing the same and processes for their preparation RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1989-12-27 EP disclosed