SCHEMBL6155841

SCHEMBL6155841

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.55
F2 P00734 3/20 0.40
MRGPRX4 Q96LA9 8/20 0.38
TP53 P04637 2/20 0.38
PKM P14618 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAOB P27338 3/20 0.37
F10 P00742 1/20 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
SCHEMBL6155837 1.00 VDR (0.55) VDRF2MRGPRX4TP53PKM
SCHEMBL6155848 1.00 VDR (0.55) VDRF2MRGPRX4TP53PKM
SCHEMBL2107507 0.92 VDR (0.66) VDRF2MAOB
SCHEMBL2107505 0.92 VDR (0.66) VDRF2MAOB
SCHEMBL2781760 0.91 VDR (0.67) VDRF2MRGPRX4TP53PKM
SCHEMBL2781748 0.91 VDR (0.67) VDRF2MRGPRX4TP53PKM
SCHEMBL2781752 0.91 VDR (0.67) VDRF2MRGPRX4TP53PKM
SCHEMBL6885664 0.84 VDR (0.40) VDRF2MRGPRX4TP53PKM
SCHEMBL6885661 0.84 VDR (0.40) VDRF2MRGPRX4TP53PKM
SCHEMBL6156248 0.84 VDR (0.40) VDRF2MRGPRX4TP53PKM

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