SCHEMBL8000654

SCHEMBL8000654

CCCCCCn1c(=O)c(O)c(OCC=C(C)C)c2ccc(NC(=O)C=Cc3cc(OC)c(O)c(OC)c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
MAPT P10636 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
SMN1; SMN2 Q16637 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
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
PTGES O14684 2/20 0.38
BCHE P06276 6/20 0.38
ACHE P22303 6/20 0.38

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
SCHEMBL8000652 1.00 CA12 (0.40) CA12CA9MAPTHTR1AHTR2C
SCHEMBL8000909 0.92 BCHE (0.43) CA12CA9HTR1AHTR2CMEN1
SCHEMBL8000910 0.92 BCHE (0.43) CA12CA9HTR1AHTR2CMEN1
SCHEMBL8000658 0.86 CA12 (0.40) CA12CA9MAPTHTR1AHTR2C
SCHEMBL7997597 0.85 CA12 (0.40) CA12CA9MAPTHTR1AHTR2C
SCHEMBL7997594 0.85 CA12 (0.40) CA12CA9MAPTHTR1AHTR2C
SCHEMBL8000813 0.84 L3MBTL1 (0.38) CA12CA9MEN1KMT2APTGES
SCHEMBL8000818 0.84 L3MBTL1 (0.38) CA12CA9MEN1KMT2APTGES
SCHEMBL8000814 0.84 L3MBTL1 (0.38) CA12CA9MEN1KMT2APTGES
SCHEMBL7988385 0.82 L3MBTL1 (0.41) CA12CA9BCHEACHE

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