SCHEMBL7989430

SCHEMBL7989430

CC=C(CC)Oc1c(OC=O)c(=O)n(C)c2cc(N(C)C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.40
USP2 O75604 1/20 0.31
PKM P14618 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
ELANE P08246 1/20 0.31
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8004337 0.87 KDM4E (0.43) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL7999661 0.85 TTR (0.40) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL8000536 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL7988414 0.81 CYP1A2 (0.36) ALDH1A1MAPTNPSR1SMN1; SMN2POLB
SCHEMBL8004883 0.81 KDM4E (0.42) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL7998821 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL7989425 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL7988679 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10HPGDMAPT
SCHEMBL8004054 0.78 MAOB (0.37) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL8003956 0.76 TTR (0.42) ALDH1A1KDM4EMAPTGAASMN1; SMN2

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 3 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