SCHEMBL7964612

SCHEMBL7964612

CCCCCCOc1c(O)c2cccc(OCCCCCC)c2n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CNR2 P34972 4/20 0.41
CNR1 P21554 2/20 0.41
CYP2C9 P11712 1/20 0.39
S1PR5 Q9H228 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
SCHEMBL7974970 0.86 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL7978004 0.84 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10CNR2
SCHEMBL6579154 0.84 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL7975932 0.83 ALOX5 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6576756 0.82 ESR1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL27387414 0.82 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL7978035 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL7978038 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6581691 0.77 MEN1 (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL6576752 0.76 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10LMNA

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