SCHEMBL8825459

SCHEMBL8825459

COC(=O)CCC[C@H](O)c1ccc(OC)c(CCC(=O)OC)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
PPARG P37231 6/20 0.41
PPARA Q07869 4/20 0.41
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MAPT P10636 1/20 0.36
EGFR P00533 2/20 0.36
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL8825456 1.00 KDM4E (0.44) KDM4EPPARGPPARAALDH1A1HPGD
SCHEMBL8825309 0.83 PPARG (0.39) KDM4EPPARGPPARAALDH1A1HPGD
SCHEMBL8825312 0.83 PPARG (0.39) KDM4EPPARGPPARAALDH1A1HPGD
SCHEMBL8825439 0.76 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL8825162 0.74 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL8825192 0.74 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL8825161 0.73 KDM4E (0.48) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL8892818 0.72 IRAK4 (0.42) PPARGPPARAALDH1A1SMN1; SMN2NFKB1
SCHEMBL8891780 0.72 IRAK4 (0.42) PPARGPPARAALDH1A1SMN1; SMN2NFKB1
SCHEMBL8416461 0.67 PPARG (0.51) KDM4EPPARGPPARAEGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624943-A Pyridine compounds which are useful as leukotriene-B4 -antagonists SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed