SCHEMBL6578711

SCHEMBL6578711

CCCCCCCCOCC(=O)N(C)c1cc(NC(=O)C=Cc2cc(OC)c(O)c(OC)c2)ccc1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
THRB P10828 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
BCHE P06276 9/20 0.41
ACHE P22303 8/20 0.41
HTT P42858 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL6579123 1.00 TP53 (0.46) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL6578709 1.00 TP53 (0.46) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL6579121 1.00 TP53 (0.46) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL7980788 0.97 ALDH1A1 (0.46) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL7980787 0.97 ALDH1A1 (0.46) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL6578895 0.96 TP53 (0.44) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL6578893 0.96 TP53 (0.44) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL6579642 0.95 TP53 (0.42) TP53MAPTTHRBBCHEACHE
SCHEMBL6579640 0.95 TP53 (0.42) TP53MAPTTHRBBCHEACHE
SCHEMBL6581161 0.94 ALDH1A1 (0.53) TP53MAPTKDM4EALDH1A1HPGD

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