SCHEMBL6154757

SCHEMBL6154757

CCC(O)(C=CC=C(C)c1cccc(COc2ccc(C(C)(C)O[SiH2]C(C)(C)C)c(C(C)(C)O[SiH2]C(C)(C)C)c2)c1)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.44
MRGPRX4 Q96LA9 10/20 0.36
SMN1; SMN2 Q16637 6/20 0.35
TP53 P04637 4/20 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
F2 P00734 2/20 0.35
RAB9A P51151 6/20 0.35
NPC1 O15118 5/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAOB P27338 2/20 0.33
POLB P06746 1/20 0.33
GFER P55789 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
SCHEMBL6156249 0.93 F2 (0.39) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL6155584 0.87 VDR (0.36) VDR
SCHEMBL6155650 0.85 MRGPRX4 (0.42) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6155760 0.85 VDR (0.42) VDRF2MAOB
SCHEMBL6156016 0.81 VDR (0.32) VDR
SCHEMBL6155257 0.80 MAOB (0.52) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6158586 0.79 VDR (0.35) VDR
SCHEMBL2781752 0.78 VDR (0.67) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL2781748 0.78 VDR (0.67) VDRMRGPRX4SMN1; SMN2TP53PKM
SCHEMBL2781760 0.78 VDR (0.67) VDRMRGPRX4SMN1; SMN2TP53PKM

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 3 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
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