SCHEMBL7997537

SCHEMBL7997537

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.38
GPR17 Q13304 1/20 0.37
SERPINE1 P05121 2/20 0.35
UNG P13051 2/20 0.34
ALDH1A1 P00352 5/20 0.34
CYP1B1 Q16678 2/20 0.34
LMNA P02545 1/20 0.34
ACHE P22303 1/20 0.34
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
GPR84 Q9NQS5 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2C P28335 1/20 0.32
GSK3B P49841 2/20 0.32
ABCB1 P08183 1/20 0.32
CYP3A4 P08684 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL8000806 1.00 AR (0.38) ARGPR17SERPINE1UNGALDH1A1
SCHEMBL7988362 0.96 AR (0.39) ARGPR17SERPINE1ALDH1A1CYP1B1
SCHEMBL7988875 0.92 CYP3A4 (0.40) ARGPR17SERPINE1ALDH1A1HPGD
SCHEMBL8002151 0.92 CYP3A4 (0.40) ARGPR17SERPINE1ALDH1A1HPGD
SCHEMBL8002158 0.92 CYP3A4 (0.40) ARGPR17SERPINE1ALDH1A1HPGD
SCHEMBL7988884 0.92 CYP3A4 (0.40) ARGPR17SERPINE1ALDH1A1HPGD
SCHEMBL7997203 0.90 AR (0.45) ARGPR17SERPINE1UNGALDH1A1
SCHEMBL8001562 0.90 AR (0.45) ARGPR17SERPINE1UNGALDH1A1
SCHEMBL8001153 0.89 AR (0.44) ARGPR17SERPINE1UNGALDH1A1
SCHEMBL7988485 0.89 AR (0.44) ARGPR17SERPINE1UNGALDH1A1

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