SCHEMBL6156249

SCHEMBL6156249

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.39
MRGPRX4 Q96LA9 10/20 0.37
VDR P11473 2/20 0.36
KLK5 Q9Y337 1/20 0.36
F10 P00742 1/20 0.35
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 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAOB P27338 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
GFER P55789 1/20 0.34
PAX8 Q06710 1/20 0.34
KLF5 Q13887 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6154757 0.93 VDR (0.44) F2MRGPRX4VDRTP53PKM
SCHEMBL6155760 0.93 VDR (0.42) F2VDRMAOB
SCHEMBL6155650 0.87 MRGPRX4 (0.42) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6158586 0.86 VDR (0.35) VDR
SCHEMBL6155257 0.82 MAOB (0.52) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6155584 0.79 VDR (0.36) VDR
SCHEMBL6155841 0.78 VDR (0.55) F2MRGPRX4VDRF10TP53
SCHEMBL6155837 0.78 VDR (0.55) F2MRGPRX4VDRF10TP53
SCHEMBL6155848 0.78 VDR (0.55) F2MRGPRX4VDRF10TP53
SCHEMBL6155843 0.77 MRGPRX4 (0.46) F2MRGPRX4F10TP53PKM

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
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed