SCHEMBL7974952

SCHEMBL7974952

CCCCCCc1ccc2c(c1)c(O)c(OCCCC)c(=O)n2C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.49
RORC P51449 1/20 0.49
RORB Q92753 1/20 0.49
PLA2G4A P47712 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GSK3B P49841 4/20 0.41
KAT8 Q9H7Z6 2/20 0.40
PPARA Q07869 1/20 0.40
CNR2 P34972 1/20 0.39
SERPINE1 P05121 1/20 0.39
GAA P10253 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
SCHEMBL7974971 0.82 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10GSK3B
SCHEMBL7974954 0.81 TP53 (0.48) KDM4EALDH1A1HPGDHSD17B10GSK3B
SCHEMBL6578775 0.80 RORA (0.45) RORARORCRORBKDM4EALDH1A1
SCHEMBL6581975 0.80 RORA (0.45) RORARORCRORBKDM4EALDH1A1
SCHEMBL7974940 0.79 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10GSK3B
SCHEMBL7974943 0.79 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10GSK3B
SCHEMBL27387414 0.79 ALDH1A1 (0.63) KDM4EALDH1A1HPGDHSD17B10GSK3B
SCHEMBL6576605 0.79 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GSK3B
SCHEMBL7964620 0.79 CNR1 (0.53) KDM4EALDH1A1HPGDHSD17B10CNR2
SCHEMBL7974921 0.77 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10

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 2 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