SCHEMBL7998976

SCHEMBL7998976

C=CCOc1c(OCC=C(C)C)c2ccc(N(C)C)cc2[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
LMNA P02545 4/20 0.36
CYP1B1 Q16678 3/20 0.36
ACHE P22303 1/20 0.36
AR P10275 1/20 0.36
KDM4E B2RXH2 5/20 0.35
GAA P10253 3/20 0.34
CYP3A4 P08684 3/20 0.34
ABCB1 P08183 2/20 0.34
BACE1 P56817 2/20 0.34
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7988966 0.91 TDP1 (0.43) ALDH1A1KDM4EGAACYP3A4BACE1
SCHEMBL7988959 0.91 TDP1 (0.43) ALDH1A1KDM4EGAACYP3A4BACE1
SCHEMBL8000828 0.86 TDP1 (0.46) ALDH1A1KDM4EGAACYP3A4BACE1
SCHEMBL8000820 0.86 TDP1 (0.46) ALDH1A1KDM4EGAACYP3A4BACE1
SCHEMBL7998927 0.85 ALDH1A1 (0.38) ALDH1A1LMNACYP1B1ACHEAR
SCHEMBL7999235 0.85 AR (0.40) ALDH1A1LMNAARKDM4EGAA
SCHEMBL7988339 0.85 TDP1 (0.46) ALDH1A1KDM4EGAACYP3A4BACE1
SCHEMBL7988333 0.85 TDP1 (0.46) ALDH1A1KDM4EGAACYP3A4BACE1
SCHEMBL8001671 0.84 PARP1 (0.41) ALDH1A1LMNACYP1B1ACHEAR
SCHEMBL7998980 0.82 AR (0.34) ALDH1A1LMNAARKDM4EGAA

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