SCHEMBL6580951

SCHEMBL6580951

C/C=C\OC(=O)c1cccc2c1c(O)c(OCCCC)c(=O)n2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 6/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
PABPC1 P11940 1/20 0.34
HTT P42858 2/20 0.33
GAA P10253 2/20 0.33
GSK3B P49841 3/20 0.32
TRPA1 O75762 2/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL6580954 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL6582186 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL7978047 0.84 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL7980686 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL6579485 0.82 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL27473235 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL6576831 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7976004 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL7976006 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL7976008 0.73 KDM4E (0.45) ALDH1A1KDM4EHPGDHSD17B10TSHR

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