SCHEMBL6157088

SCHEMBL6157088

CC(=NOCC(C)(C)O)c1cccc(OCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.52
MAOB P27338 13/20 0.44
MAOA P21397 4/20 0.44
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
HIF1A Q16665 1/20 0.39
F2 P00734 2/20 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
SCHEMBL6878832 1.00 VDR (0.52) VDRMAOBMAOANR4A1NR4A2
SCHEMBL6878835 0.82 NR4A2 (0.44) MAOBMAOANR4A1NR4A2NR4A3
SCHEMBL6158301 0.77 NPC1 (0.42) MAOBMAOANR4A1NR4A2NR4A3
SCHEMBL6881407 0.77 NPC1 (0.42) MAOBMAOANR4A1NR4A2NR4A3
SCHEMBL2107507 0.74 VDR (0.66) VDRMAOBMAOANR4A1NR4A2
SCHEMBL2107505 0.74 VDR (0.66) VDRMAOBMAOANR4A1NR4A2
SCHEMBL6155486 0.74 VDR (0.52) VDRMAOBMAOANR4A1NR4A2
SCHEMBL6155478 0.74 VDR (0.52) VDRMAOBMAOANR4A1NR4A2
SCHEMBL6155494 0.74 VDR (0.52) VDRMAOBMAOANR4A1NR4A2
SCHEMBL6879640 0.74 KDM4E (0.44)

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
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP claimed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed