SCHEMBL7998635

SCHEMBL7998635

CCCCOc1c(OC(C)=O)c(=O)n(CC)c2cc(N)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
GSK3B P49841 2/20 0.36
PSEN1 P49768 4/20 0.35
PSEN2 P49810 4/20 0.35
APH1B Q8WW43 4/20 0.35
NCSTN Q92542 4/20 0.35
APH1A Q96BI3 4/20 0.35
PSENEN Q9NZ42 4/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE4D Q08499 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
SCHEMBL8002264 0.96 GSK3B (0.39) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL8001007 0.92 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2PSEN1PSEN2
SCHEMBL7998638 0.90 PSEN1 (0.42) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL8076763 0.90 PSEN1 (0.42) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL7998872 0.90 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL7997665 0.90 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL8004658 0.88 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL8001304 0.88 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL8081155 0.88 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL8001540 0.88 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2MAPTGSK3B

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