SCHEMBL6576831

SCHEMBL6576831

CCCCCCCCOc1c(O)c2c(C(=O)O)cccc2n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTPN11 Q06124 4/20 0.42
PLK1 P53350 1/20 0.42
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
GSK3B P49841 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
SCHEMBL7980686 0.88 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7976008 0.84 KDM4E (0.45) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL6582186 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7978004 0.83 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10PTPN11
SCHEMBL6579485 0.83 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL27473235 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL7999095 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL6580951 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL6580954 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL27387414 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10LMNA

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