SCHEMBL8001827

SCHEMBL8001827

C=CCOc1c(OCCCCCC)c2ccc(NC(=O)C=Cc3ccccc3)cc2n(CCCCCC)c1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
DHFR P00374 3/20 0.41
EGFR P00533 2/20 0.41
MCHR1 Q99705 1/20 0.41
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
BCHE P06276 9/20 0.39
ACHE P22303 9/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 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
SCHEMBL8001824 1.00 L3MBTL1 (0.42) L3MBTL1DHFREGFRMCHR1CA12
SCHEMBL7988830 0.98 EGFR (0.43) L3MBTL1DHFREGFRMCHR1CA12
SCHEMBL7988827 0.98 EGFR (0.43) L3MBTL1DHFREGFRMCHR1CA12
SCHEMBL8001392 0.94 L3MBTL1 (0.46) L3MBTL1DHFREGFRMCHR1CA12
SCHEMBL8001387 0.94 L3MBTL1 (0.46) L3MBTL1DHFREGFRMCHR1CA12
SCHEMBL8004109 0.94 DHFR (0.41) L3MBTL1DHFREGFRMCHR1CA12
SCHEMBL8004114 0.94 DHFR (0.41) L3MBTL1DHFREGFRMCHR1CA12
SCHEMBL7997807 0.94 EGFR (0.47) L3MBTL1DHFREGFRMCHR1CA12
SCHEMBL7997804 0.94 EGFR (0.47) L3MBTL1DHFREGFRMCHR1CA12
SCHEMBL7997260 0.93 DHFR (0.40) L3MBTL1DHFREGFRMCHR1CA12

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