SCHEMBL8725705

SCHEMBL8725705

OCCCCCCOc1cc[c]c(O)c1O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.36
AOC3 Q16853 1/20 0.36
CNR2 P34972 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 1/20 0.33
CNR1 P21554 1/20 0.32
IDO1 P14902 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
PTK2B Q14289 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
APP P05067 2/20 0.30

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
SCHEMBL248878 0.71 CNR2 (0.46) LOXAOC3CNR2ALDH1A1HSD17B10
SCHEMBL21625561 0.70 NR5A1 (0.45) ALDH1A1LMNA
SCHEMBL29206247 0.69 ALDH1A1 (0.56) LOXAOC3CNR2ALDH1A1HSD17B10
SCHEMBL30292306 0.69 ALDH1A1 (0.56) LOXAOC3CNR2ALDH1A1HSD17B10
SCHEMBL30292268 0.69 ALDH1A1 (0.56) LOXAOC3CNR2ALDH1A1HSD17B10
SCHEMBL4993274 0.68 ALDH1A1 (0.36) LOXAOC3ALDH1A1HSD17B10KDM4E
SCHEMBL5207598 0.67 MAPT (0.46) ALDH1A1HSD17B10IDO1NPC1KDM4E
SCHEMBL27840873 0.67 GAA (0.67) CNR2ALDH1A1HSD17B10IDO1NPC1
SCHEMBL28210938 0.67 GAA (0.67) CNR2ALDH1A1HSD17B10IDO1NPC1
SCHEMBL27887600 0.66 ALDH1A1 (0.39) LOXAOC3CNR2ALDH1A1CNR1

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-5800733-A Photo cross-linkable liquid crystal derivatives ROLIC AG (CH) 1998-09-01 US disclosed