SCHEMBL6155484

SCHEMBL6155484

CCC(C)(O)/C=C/C=C(/C)c1cccc(OCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.68
MAOB P27338 13/20 0.43
MAOA P21397 4/20 0.40
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
F2 P00734 2/20 0.37

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
SCHEMBL6155488 1.00 VDR (0.68) VDRMAOBMAOANR4A1NR4A2
SCHEMBL6155491 1.00 VDR (0.68) VDRMAOBMAOANR4A1NR4A2
SCHEMBL2801798 0.92 VDR (0.80) VDRMAOBMAOANR4A1NR4A2
SCHEMBL2801805 0.92 VDR (0.80) VDRMAOBMAOANR4A1NR4A2
SCHEMBL2801791 0.92 VDR (0.80) VDRMAOBMAOANR4A1NR4A2
SCHEMBL2107507 0.91 VDR (0.66) VDRMAOBMAOANR4A1NR4A2
SCHEMBL2107505 0.91 VDR (0.66) VDRMAOBMAOANR4A1NR4A2
SCHEMBL2781752 0.84 VDR (0.67) VDRMAOBF2
SCHEMBL2781760 0.84 VDR (0.67) VDRMAOBF2
SCHEMBL2781748 0.84 VDR (0.67) VDRMAOBF2

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 disclosed
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