SCHEMBL7978073

SCHEMBL7978073

CCCCCCCCOc1cccc2c1c(O)c(OC)c(=O)n2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALOX5 P09917 3/20 0.40
KDM1A O60341 1/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC4 P56524 1/20 0.39
CNR2 P34972 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
SCHEMBL7976008 0.80 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL6576831 0.78 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL7999095 0.76 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8493848 0.76 NQO1 (0.51) ALOX5
SCHEMBL7980686 0.76 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL7964612 0.75 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6576605 0.74 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL6576521 0.74 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10CNR2
SCHEMBL27387414 0.74 ALDH1A1 (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8491095 0.74 NQO1 (0.48) ALOX5

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