SCHEMBL6155588

SCHEMBL6155588

CC/C(=C/C=C/C(O)(CC)CC)c1cccc(COc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.85
MRGPRX4 Q96LA9 11/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 2/20 0.39
PKM P14618 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
F2 P00734 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL6155596 1.00 VDR (0.85) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6155583 1.00 VDR (0.85) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL2783741 0.92 VDR (1.00) VDRF2
SCHEMBL2781784 0.92 VDR (1.00) VDRF2
SCHEMBL2781792 0.92 VDR (1.00) VDRF2
SCHEMBL2781782 0.92 VDR (1.00) VDRF2
SCHEMBL2781760 0.89 VDR (0.67) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL2781752 0.89 VDR (0.67) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL2781748 0.89 VDR (0.67) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL3280240 0.85 VDR (0.77) VDR

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 8 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 claimed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP claimed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO claimed
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
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed