SCHEMBL6154746

SCHEMBL6154746

CCC(O)(/C=C/C=C(\C)c1cccc(COc2ccc(C(O[SiH](C)C)C(C)(C)C)c(C(O[SiH](C)C)C(C)(C)C)c2)c1)CC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.43
MRGPRX4 Q96LA9 10/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
TP53 P04637 4/20 0.36
PKM P14618 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
F2 P00734 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAOB P27338 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6881393 1.00 VDR (0.43) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6156246 0.93 MRGPRX4 (0.35) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6885668 0.93 MRGPRX4 (0.35) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6887848 0.87 VDR (0.35) VDR
SCHEMBL6155579 0.87 VDR (0.35) VDR
SCHEMBL6883395 0.86 VDR (0.41) VDRF2MAOB
SCHEMBL6155753 0.86 VDR (0.41) VDRF2MAOB
SCHEMBL6878947 0.85 MRGPRX4 (0.40) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6878959 0.85 MRGPRX4 (0.40) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6156006 0.82 VDR (0.31) 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 4 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
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