SCHEMBL7989113

SCHEMBL7989113

CCCCCCOc1c(O)c(=O)n(C)c2cc(N(C)C)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
THRB P10828 2/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GSK3B P49841 7/20 0.39
CNR2 P34972 1/20 0.37
GPR84 Q9NQS5 2/20 0.36
SGMS2 Q8NHU3 1/20 0.36
THRA P10827 1/20 0.36
TTR P02766 1/20 0.35
ELANE P08246 1/20 0.35
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL8004925 0.92 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10HPGDTHRB
SCHEMBL6581271 0.92 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10HPGDTHRB
SCHEMBL8001717 0.85 KDM4E (0.42) ALDH1A1KDM4EHSD17B10HPGDTHRB
SCHEMBL27479689 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10HPGDTHRB
SCHEMBL7999367 0.84 TTR (0.47) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL7988679 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10HPGDTHRB
SCHEMBL8004097 0.83 KDM4E (0.43) ALDH1A1KDM4EHSD17B10HPGDTHRB
SCHEMBL8001077 0.82 KDM4E (0.41) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL7988598 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10HPGDTHRB
SCHEMBL6582560 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10HPGDMAPT

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
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed