SCHEMBL6579169

SCHEMBL6579169

CC(C)=CCCC(C)=CCOCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.61
ALDH1A1 P00352 1/20 0.61
FNTA P49354 6/20 0.57
FNTB P49356 6/20 0.57
KDM4E B2RXH2 1/20 0.52
ATM Q13315 1/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TRPA1 O75762 1/20 0.50
MAPT P10636 1/20 0.50
TRPV1 Q8NER1 2/20 0.48
CYP3A4 P08684 1/20 0.47
PGGT1B P53609 1/20 0.47

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
SCHEMBL6579163 1.00 ALOX15 (0.61) ALOX15ALDH1A1FNTAFNTBKDM4E
SCHEMBL9305768 0.98 FNTA (0.59) ALOX15ALDH1A1FNTAFNTBKDM4E
SCHEMBL9305765 0.98 FNTA (0.59) ALOX15ALDH1A1FNTAFNTBKDM4E
SCHEMBL5576771 0.87 ALOX15 (0.62) ALOX15ALDH1A1FNTAFNTBKDM4E
Squalene SCHEMBL27829218 0.87 KMT2A (0.63) ALOX15ALDH1A1FNTAFNTBKDM4E
SCHEMBL3269523 0.84 FNTA (0.54) ALOX15ALDH1A1FNTAFNTBKDM4E
SCHEMBL3269528 0.84 FNTA (0.54) ALOX15ALDH1A1FNTAFNTBKDM4E
SCHEMBL3664267 0.83 ALDH1A1 (0.67) ALOX15ALDH1A1FNTAFNTBTRPV1
SCHEMBL4025176 0.83 FNTA (0.58) ALOX15ALDH1A1FNTAFNTBKDM4E
SCHEMBL25266180 0.82 PTGS1 (0.44) ALOX15ALDH1A1FNTAFNTBKDM4E

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