SCHEMBL6577064

SCHEMBL6577064

C/C=C\n1c(=O)c(OCCCCCCCC)c(O)c2ccc(OCCCC)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.40
NR5A1 Q13285 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
PSEN1 P49768 4/20 0.37
PSEN2 P49810 4/20 0.37
APH1B Q8WW43 4/20 0.37
NCSTN Q92542 4/20 0.37
APH1A Q96BI3 4/20 0.37
PSENEN Q9NZ42 4/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6577074 1.00 ALDH2 (0.40) ALDH2NR5A1ALDH1A1KDM4EHPGD
SCHEMBL6578986 0.90 CNR2 (0.38) ALDH2NR5A1ALDH1A1KDM4EHPGD
SCHEMBL6578979 0.90 CNR2 (0.38) ALDH2NR5A1ALDH1A1KDM4EHPGD
SCHEMBL6581339 0.89 CNR2 (0.40) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL6581346 0.89 CNR2 (0.40) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL6579786 0.87 CNR2 (0.39) ALDH1A1KDM4EHPGDHSD17B10CNR2
SCHEMBL6579794 0.87 CNR2 (0.39) ALDH1A1KDM4EHPGDHSD17B10CNR2
SCHEMBL6582135 0.82 CNR1 (0.39) ALDH1A1KDM4ETP53MEN1GAA
SCHEMBL6582132 0.82 CNR1 (0.39) ALDH1A1KDM4ETP53MEN1GAA
SCHEMBL6277838 0.79 KDM4E (0.41) ALDH2NR5A1ALDH1A1KDM4EHPGD

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