SCHEMBL6578893

SCHEMBL6578893

CCCCCCCCOCC(=O)N(C)c1cc(NC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)ccc1C(=O)OCCCC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
BCHE P06276 9/20 0.40
ACHE P22303 8/20 0.40
ALOX5 P09917 1/20 0.39
HTR1A P08908 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL6578895 1.00 TP53 (0.44) TP53MAPTTHRBL3MBTL1KDM4E
SCHEMBL6579121 0.96 TP53 (0.46) TP53MAPTTHRBL3MBTL1KDM4E
SCHEMBL6579123 0.96 TP53 (0.46) TP53MAPTTHRBL3MBTL1KDM4E
SCHEMBL6578711 0.96 TP53 (0.46) TP53MAPTTHRBL3MBTL1KDM4E
SCHEMBL6578709 0.96 TP53 (0.46) TP53MAPTTHRBL3MBTL1KDM4E
SCHEMBL6579642 0.94 TP53 (0.42) TP53MAPTTHRBBCHEACHE
SCHEMBL6579640 0.94 TP53 (0.42) TP53MAPTTHRBBCHEACHE
SCHEMBL7980787 0.94 ALDH1A1 (0.46) TP53MAPTTHRBL3MBTL1KDM4E
SCHEMBL7980788 0.94 ALDH1A1 (0.46) TP53MAPTTHRBL3MBTL1KDM4E
SCHEMBL6581046 0.92 BCHE (0.44) TP53MAPTTHRBBCHEACHE

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 3 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