SCHEMBL8001671

SCHEMBL8001671

C=CCOc1c(OCC=C(C)C)c2ccc(N)cc2[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 6/20 0.38
CYP1B1 Q16678 3/20 0.38
LMNA P02545 1/20 0.38
ACHE P22303 1/20 0.38
CYP3A4 P08684 5/20 0.35
ABCB1 P08183 2/20 0.35
GAA P10253 2/20 0.35
BACE1 P56817 2/20 0.35
MAPT P10636 5/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 4/20 0.34
MAOA P21397 1/20 0.34
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
MAPK1 P28482 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL7999937 0.91 ALOX15 (0.45) ALDH1A1CYP3A4BACE1MAPTKDM4E
SCHEMBL7999932 0.91 ALOX15 (0.45) ALDH1A1CYP3A4BACE1MAPTKDM4E
SCHEMBL7988353 0.88 PARP1 (0.43) PARP1ALDH1A1CYP1B1LMNAACHE
SCHEMBL8001285 0.87 PARP1 (0.39) PARP1ALDH1A1CYP1B1LMNAACHE
SCHEMBL8000842 0.86 PARP1 (0.41) PARP1ALDH1A1CYP1B1LMNAACHE
SCHEMBL8001425 0.86 PARP1 (0.41) PARP1ALDH1A1CYP1B1LMNAACHE
SCHEMBL8002166 0.86 PARP1 (0.41) PARP1ALDH1A1CYP1B1LMNAACHE
SCHEMBL8001845 0.86 PARP1 (0.44) PARP1ALDH1A1LMNAGAAMAPT
SCHEMBL8001375 0.86 ALOX15 (0.47) ALDH1A1CYP3A4BACE1MAPTKDM4E
SCHEMBL8001384 0.86 ALOX15 (0.47) ALDH1A1CYP3A4BACE1MAPTKDM4E

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