SCHEMBL8004758

SCHEMBL8004758

CC(C)=CCC/C(C)=C/COc1c(OC=O)c(=O)n(C)c2cc(NCc3ccccc3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
BACE1 P56817 4/20 0.39
CYP3A4 P08684 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP3A5 P20815 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TRPV1 Q8NER1 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
SCHEMBL8004768 1.00 ALOX15 (0.39) ALOX15TDP1BACE1CYP3A4KDM4E
SCHEMBL8000960 0.93 BACE1 (0.42) ALOX15TDP1BACE1CYP3A4KDM4E
SCHEMBL8000955 0.93 BACE1 (0.42) ALOX15TDP1BACE1CYP3A4KDM4E
SCHEMBL8004050 0.92 MAOB (0.36) CYP3A4ALDH1A1HPGDCYP2C9MEN1
SCHEMBL8004368 0.91 TRPV1 (0.41) ALOX15TDP1BACE1CYP3A4KDM4E
SCHEMBL8004374 0.91 TRPV1 (0.41) ALOX15TDP1BACE1CYP3A4KDM4E
SCHEMBL8001330 0.89 ALOX15 (0.38) ALOX15TDP1BACE1CYP3A4KDM4E
SCHEMBL8001337 0.89 ALOX15 (0.38) ALOX15TDP1BACE1CYP3A4KDM4E
SCHEMBL7999231 0.89 ALOX15 (0.38) ALOX15TDP1BACE1CYP3A4KDM4E
SCHEMBL7999233 0.89 ALOX15 (0.38) ALOX15TDP1BACE1CYP3A4KDM4E

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