SCHEMBL6581774

SCHEMBL6581774

COc1c(O)c2ccc(Cc3ccc(C)c(C)c3)cc2n(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 2/20 0.43
TTR P02766 2/20 0.42
NQO1 P15559 2/20 0.40
TSHR P16473 2/20 0.38
EGFR P00533 1/20 0.37
HPGD P15428 4/20 0.37
HIF1A Q16665 3/20 0.37
CYP19A1 P11511 1/20 0.36
NQO2 P16083 1/20 0.36
MAPT P10636 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
NPBWR1 P48145 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35

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
SCHEMBL7980793 0.79 KDM4E (0.50) KDM4EALDH1A1GAATTREGFR
SCHEMBL6576852 0.78 NPC1 (0.46) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL6579613 0.77 ALDH1A1 (0.51) KDM4EALDH1A1GAATTREGFR
SCHEMBL6581975 0.77 RORA (0.45) KDM4EALDH1A1GAAHPGDHIF1A
SCHEMBL6578775 0.77 RORA (0.45) KDM4EALDH1A1GAAHPGDHIF1A
SCHEMBL6578821 0.75 TTR (0.49) KDM4EALDH1A1GAATTREGFR
SCHEMBL5741498 0.71 KDM4E (0.74) KDM4EALDH1A1GAATSHRHPGD
SCHEMBL27409225 0.71 TTR (0.39) KDM4EALDH1A1GAATTRTSHR
SCHEMBL7988582 0.71 ALDH1A1 (0.45) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL6581059 0.71 MEN1 (0.46) KDM4EALDH1A1GAATSHRHPGD

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