SCHEMBL7974950

SCHEMBL7974950

CC(=O)Nc1cccc2c(O)c(OCC=C(C)CCC=C(C)C)c(=O)n(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.41
BACE1 P56817 4/20 0.39
CYP3A4 P08684 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP3A5 P20815 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
VKORC1 Q9BQB6 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
SCHEMBL6577210 1.00 ALOX15 (0.41) ALOX15BACE1CYP3A4TDP1KDM4E
SCHEMBL6579792 0.85 ALOX15 (0.39) ALOX15BACE1CYP3A4TDP1KDM4E
SCHEMBL6579802 0.85 ALOX15 (0.39) ALOX15BACE1CYP3A4TDP1KDM4E
SCHEMBL6579305 0.84 ALOX15 (0.44) ALOX15BACE1CYP3A4TDP1KDM4E
SCHEMBL6579311 0.84 ALOX15 (0.44) ALOX15BACE1CYP3A4TDP1KDM4E
SCHEMBL6581174 0.74 TDP1 (0.45) ALOX15BACE1CYP3A4TDP1KDM4E
SCHEMBL6581180 0.74 TDP1 (0.45) ALOX15BACE1CYP3A4TDP1KDM4E
SCHEMBL8004842 0.73 TDP1 (0.44) ALOX15BACE1CYP3A4TDP1KDM4E
SCHEMBL8004839 0.73 TDP1 (0.44) ALOX15BACE1CYP3A4TDP1KDM4E
SCHEMBL6579268 0.73 TDP1 (0.46) ALOX15BACE1CYP3A4TDP1KDM4E

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
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