SCHEMBL6155790

SCHEMBL6155790

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.48
MRGPRX4 Q96LA9 8/20 0.39
SMN1; SMN2 Q16637 3/20 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
PLAT P00750 2/20 0.37
RAB9A P51151 2/20 0.37
F2 P00734 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAOB P27338 3/20 0.36

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
SCHEMBL6155801 1.00 VDR (0.48) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6155798 1.00 VDR (0.48) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL2783953 0.92 VDR (0.58) VDRPLATF2MAOB
SCHEMBL2783951 0.92 VDR (0.58) VDRPLATF2MAOB
SCHEMBL2783962 0.92 VDR (0.58) VDRPLATF2MAOB
SCHEMBL2783364 0.89 VDR (0.57) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL2783371 0.89 VDR (0.57) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL2783367 0.89 VDR (0.57) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6155425 0.86 VDR (0.56) VDRMAOB
SCHEMBL6566376 0.86 VDR (0.39) VDRMAOB

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 7 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
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