SCHEMBL8000658

SCHEMBL8000658

CC=C(CC)Oc1c(O)c(=O)n(CCCCCC)c2cc(NC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA9 Q16790 4/20 0.40
HTR1A P08908 2/20 0.40
HTR2C P28335 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
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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 0.89 BCHE (0.43) CA12CA9HTR1AHTR2CHTR2A
SCHEMBL8000910 0.89 BCHE (0.43) CA12CA9HTR1AHTR2CHTR2A
SCHEMBL8000654 0.86 CA12 (0.40) CA12CA9HTR1AHTR2CHTR2A
SCHEMBL8000652 0.86 CA12 (0.40) CA12CA9HTR1AHTR2CHTR2A
SCHEMBL7997594 0.84 CA12 (0.40) CA12CA9HTR1AHTR2CHTR2A
SCHEMBL7997597 0.84 CA12 (0.40) CA12CA9HTR1AHTR2CHTR2A
SCHEMBL7988456 0.82 L3MBTL1 (0.45) CA12CA9MEN1KMT2A
SCHEMBL7988459 0.82 L3MBTL1 (0.45) CA12CA9MEN1KMT2A
SCHEMBL8004496 0.80 NPC1 (0.52) MEN1KMT2ASMN1; SMN2TP53KDM4E
SCHEMBL8004179 0.80 MEN1 (0.47) MEN1KMT2AHTTMAPTSMN1; 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 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