SCHEMBL6885664

SCHEMBL6885664

CC(=CC=CC(C)(C)O)c1cccc(COc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.40
F2 P00734 3/20 0.36
MRGPRX4 Q96LA9 9/20 0.34
TP53 P04637 2/20 0.34
PKM P14618 2/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAOB P27338 3/20 0.34
KLK5 Q9Y337 1/20 0.34
PLAT P00750 1/20 0.33

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
SCHEMBL6156248 1.00 VDR (0.40) VDRF2MRGPRX4TP53PKM
SCHEMBL6885661 1.00 VDR (0.40) VDRF2MRGPRX4TP53PKM
SCHEMBL6154751 0.93 VDR (0.49) VDRF2MRGPRX4TP53PKM
SCHEMBL6881384 0.93 VDR (0.49) VDRF2MRGPRX4TP53PKM
SCHEMBL6881388 0.93 VDR (0.49) VDRF2MRGPRX4TP53PKM
SCHEMBL6155757 0.93 VDR (0.48) VDRF2MAOB
SCHEMBL6886921 0.87 VDR (0.41) VDR
SCHEMBL6158573 0.87 VDR (0.41) VDR
SCHEMBL6886918 0.87 VDR (0.41) VDR
SCHEMBL6155645 0.87 MRGPRX4 (0.40) MRGPRX4TP53PKMNFKB1NFKB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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