SCHEMBL6154751

SCHEMBL6154751

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.49
MRGPRX4 Q96LA9 9/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
TP53 P04637 3/20 0.35
PKM P14618 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.35
F2 P00734 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAOB P27338 3/20 0.33
PLAT P00750 2/20 0.33
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
SCHEMBL6881384 1.00 VDR (0.49) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6881388 1.00 VDR (0.49) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6885661 0.93 VDR (0.40) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6156248 0.93 VDR (0.40) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6885664 0.93 VDR (0.40) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6887842 0.88 VDR (0.42) VDR
SCHEMBL6887847 0.88 VDR (0.42) VDR
SCHEMBL6155582 0.88 VDR (0.42) VDR
SCHEMBL6155645 0.85 MRGPRX4 (0.40) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6155642 0.85 MRGPRX4 (0.40) MRGPRX4SMN1; SMN2TP53PKMNFKB1

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