SCHEMBL6579593

SCHEMBL6579593

C=CCCCCNc1ccc(C(=O)OCC)c(N(C=CCC)C(=O)COCCCCC=C)c1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAOA P21397 1/20 0.30
CNR1 P21554 1/20 0.30
DRD4 P21917 1/20 0.30
ACHE P22303 1/20 0.30
HRH2 P25021 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
MAPK1 P28482 1/20 0.30
NTSR1 P30989 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL6579590 1.00 EGFR (0.31) EGFRKMT2ALMNAKDM4EALDH1A1
SCHEMBL6579366 0.85 LMNA (0.36) LMNAKDM4EALDH1A1HPGDTDP1
SCHEMBL6579599 0.84 EGFR (0.31) EGFRKMT2ALMNAKDM4EALDH1A1
SCHEMBL6579279 0.82 LMNA (0.35) EGFRKMT2ALMNAKDM4EALDH1A1
SCHEMBL6579046 0.82 LMNA (0.35) LMNAKDM4EALDH1A1HPGDTDP1
SCHEMBL6581167 0.82 LMNA (0.35) LMNAKDM4EALDH1A1HPGDTDP1
SCHEMBL6581870 0.81 LMNA (0.33) EGFRKMT2ALMNAKDM4EALDH1A1
SCHEMBL6581222 0.80 LMNA (0.36) EGFRKMT2ALMNAKDM4EALDH1A1
SCHEMBL6579535 0.80 LMNA (0.37) EGFRLMNAKDM4EALDH1A1HPGD
SCHEMBL6577324 0.78 KMT2A (0.39) KMT2ALMNAALDH1A1HPGDTDP1

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