SCHEMBL7997597

SCHEMBL7997597

CCCCCCCCn1c(=O)c(OC(C)=O)c(OCCCC)c2ccc(NC(=O)C=Cc3cc(OC)c(O)c(OC)c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTR1A P08908 2/20 0.40
HTR2C P28335 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
BCHE P06276 9/20 0.39
ACHE P22303 8/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 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
SCHEMBL7997594 1.00 CA12 (0.40) CA12CA9SMN1; SMN2HTR1AHTR2C
SCHEMBL8000909 0.90 BCHE (0.43) CA12CA9SMN1; SMN2HTR1AHTR2C
SCHEMBL8000910 0.90 BCHE (0.43) CA12CA9SMN1; SMN2HTR1AHTR2C
SCHEMBL7988120 0.87 L3MBTL1 (0.43) CA12CA9MEN1KMT2ABCHE
SCHEMBL7988117 0.87 L3MBTL1 (0.43) CA12CA9MEN1KMT2ABCHE
SCHEMBL8000654 0.85 CA12 (0.40) CA12CA9SMN1; SMN2HTR1AHTR2C
SCHEMBL8000652 0.85 CA12 (0.40) CA12CA9SMN1; SMN2HTR1AHTR2C
SCHEMBL8004133 0.84 MMP1 (0.43) CA12CA9MEN1KMT2ABCHE
SCHEMBL7988397 0.84 MMP1 (0.43) CA12CA9MEN1KMT2ABCHE
SCHEMBL8000658 0.84 CA12 (0.40) CA12CA9SMN1; SMN2HTR1AHTR2C

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