SCHEMBL7998951

SCHEMBL7998951

CCCCCCOc1c(OCC=C(C)C)c2ccc(N)cc2n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.38
TSHR P16473 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP1B1 Q16678 2/20 0.35
LMNA P02545 1/20 0.35
ACHE P22303 1/20 0.35
MAPT P10636 4/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
GSK3B P49841 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
CNR2 P34972 3/20 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
SCHEMBL8000914 1.00 TTR (0.38) TTRTSHRALDH1A1CYP1B1LMNA
SCHEMBL7988871 0.96 TTR (0.39) TTRTSHRALDH1A1CYP1B1LMNA
SCHEMBL7999787 0.92 TDP1 (0.41) TTRTSHRALDH1A1MAPTMEN1
SCHEMBL7998138 0.92 TDP1 (0.41) TTRTSHRALDH1A1MAPTMEN1
SCHEMBL7998143 0.92 TDP1 (0.41) TTRTSHRALDH1A1MAPTMEN1
SCHEMBL8004392 0.92 TDP1 (0.41) TTRTSHRALDH1A1MAPTMEN1
SCHEMBL8004394 0.92 TDP1 (0.41) TTRTSHRALDH1A1MAPTMEN1
SCHEMBL7999791 0.92 TDP1 (0.41) TTRTSHRALDH1A1MAPTMEN1
SCHEMBL8002113 0.90 MEN1 (0.37) TSHRALDH1A1CYP1B1LMNAACHE
SCHEMBL7999392 0.90 MAPT (0.39) TSHRALDH1A1MAPTMEN1USP2

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