SCHEMBL7997292

SCHEMBL7997292

CCCCCCCCOc1c(O)c2ccc(NCC)cc2[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.43
GSK3B P49841 2/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 5/20 0.41
HPGD P15428 4/20 0.41
SERPINE1 P05121 4/20 0.41
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
GPR17 Q13304 1/20 0.39
GPR84 Q9NQS5 2/20 0.39
UNG P13051 2/20 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
SCHEMBL7998867 1.00 AR (0.43) ARGSK3BKDM4EALDH1A1HSD17B10
SCHEMBL8004780 0.95 AR (0.44) ARGSK3BKDM4EALDH1A1HSD17B10
SCHEMBL7997203 0.90 AR (0.45) ARGSK3BKDM4EALDH1A1HSD17B10
SCHEMBL8001562 0.90 AR (0.45) ARGSK3BKDM4EALDH1A1HSD17B10
SCHEMBL7998801 0.88 AR (0.44) ARKDM4EALDH1A1HSD17B10HPGD
SCHEMBL8001153 0.88 AR (0.44) ARKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7988485 0.88 AR (0.44) ARKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7998946 0.87 MAOA (0.46) GSK3BKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7998822 0.86 AR (0.43) ARKDM4EALDH1A1SERPINE1GAA
SCHEMBL8000879 0.86 AR (0.43) ARKDM4EALDH1A1SERPINE1GAA

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 3 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