SCHEMBL6579792

SCHEMBL6579792

CCCCNc1cccc2c(O)c(OC/C=C(\C)CCC=C(C)C)c(=O)n(C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 9/20 0.39
TDP1 Q9NUW8 6/20 0.37
CYP3A4 P08684 4/20 0.37
BACE1 P56817 4/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2E1 P05181 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP3A5 P20815 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 2/20 0.36

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
SCHEMBL6579802 1.00 ALOX15 (0.39) ALOX15TDP1CYP3A4BACE1MAPT
SCHEMBL7974950 0.85 ALOX15 (0.41) ALOX15TDP1CYP3A4BACE1MAPT
SCHEMBL6577210 0.85 ALOX15 (0.41) ALOX15TDP1CYP3A4BACE1MAPT
SCHEMBL6579311 0.81 ALOX15 (0.44) ALOX15TDP1CYP3A4BACE1MAPT
SCHEMBL6579305 0.81 ALOX15 (0.44) ALOX15TDP1CYP3A4BACE1MAPT
SCHEMBL6581691 0.78 MEN1 (0.39) TDP1MAPTMAPK1KDM4EALDH1A1
SCHEMBL8004922 0.78 TDP1 (0.40) ALOX15TDP1CYP3A4BACE1MAPT
SCHEMBL8004915 0.78 TDP1 (0.40) ALOX15TDP1CYP3A4BACE1MAPT
SCHEMBL8001063 0.75 TDP1 (0.40) ALOX15TDP1CYP3A4BACE1MAPT
SCHEMBL8001068 0.75 TDP1 (0.40) ALOX15TDP1CYP3A4BACE1MAPT

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
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed