SCHEMBL6581949

SCHEMBL6581949

CC(C)=CCC/C(C)=C/COc1c(O)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2n(Cc2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
ALOX15 P16050 7/20 0.39
TRPV1 Q8NER1 1/20 0.39
MGAM O43451 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
PTPN1 P18031 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
ICMT O60725 1/20 0.36
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NDUFS8 O00217 1/20 0.36
COXFA4 O00483 1/20 0.36
NDUFAB1 O14561 1/20 0.36
NDUFA1 O15239 1/20 0.36
NDUFS4 O43181 1/20 0.36
NDUFB5 O43674 1/20 0.36
NDUFB3 O43676 1/20 0.36
NDUFC1 O43677 1/20 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
SCHEMBL6581953 1.00 PPARG (0.43) PPARGTDP1ALOX15TRPV1MGAM
SCHEMBL7974886 0.85 TDP1 (0.46) TDP1ALOX15TRPV1MGAMGAA
SCHEMBL7974889 0.85 TDP1 (0.46) TDP1ALOX15TRPV1MGAMGAA
SCHEMBL6581706 0.80 ALOX15 (0.43) TDP1ALOX15TRPV1MGAMGAA
SCHEMBL6581714 0.80 ALOX15 (0.43) TDP1ALOX15TRPV1MGAMGAA
SCHEMBL6581180 0.74 TDP1 (0.45) TDP1ALOX15TRPV1CYP3A4KDM4E
SCHEMBL6581174 0.74 TDP1 (0.45) TDP1ALOX15TRPV1CYP3A4KDM4E
SCHEMBL6579268 0.74 TDP1 (0.46) TDP1ALOX15TRPV1CYP3A4KDM4E
SCHEMBL6579274 0.74 TDP1 (0.46) TDP1ALOX15TRPV1CYP3A4KDM4E
SCHEMBL6579055 0.72 ALOX15 (0.48) PPARGTDP1ALOX15TRPV1MGAM

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