SCHEMBL8000910

SCHEMBL8000910

CCCCCCOc1c(O)c(=O)n(CCCCCC)c2cc(NC(=O)C=Cc3cc(OC)c(O)c(OC)c3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.43
ACHE P22303 14/20 0.43
HTR1A P08908 2/20 0.42
HTR2C P28335 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8000909 1.00 BCHE (0.43) BCHEACHEHTR1AHTR2CCA12
SCHEMBL8000654 0.92 CA12 (0.40) BCHEACHEHTR1AHTR2CCA12
SCHEMBL8000652 0.92 CA12 (0.40) BCHEACHEHTR1AHTR2CCA12
SCHEMBL7997594 0.90 CA12 (0.40) BCHEACHEHTR1AHTR2CCA12
SCHEMBL7997597 0.90 CA12 (0.40) BCHEACHEHTR1AHTR2CCA12
SCHEMBL8000658 0.89 CA12 (0.40) BCHEACHEHTR1AHTR2CCA12
SCHEMBL8000619 0.88 L3MBTL1 (0.47) CA12CA9MEN1KMT2A
SCHEMBL8000616 0.88 L3MBTL1 (0.47) CA12CA9MEN1KMT2A
SCHEMBL1710168 0.87 HTT (0.45) BCHEACHEHTR1AHTR2CCA12
SCHEMBL1710165 0.87 HTT (0.45) BCHEACHEHTR1AHTR2CCA12

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