SCHEMBL6885668

SCHEMBL6885668

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 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
VDR P11473 2/20 0.35
RAB9A P51151 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAOB P27338 5/20 0.33
MAOA P21397 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
SCHEMBL6156246 1.00 MRGPRX4 (0.35) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6154746 0.93 VDR (0.43) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6881393 0.93 VDR (0.43) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6883395 0.93 VDR (0.41) F2VDRMAOBMAOA
SCHEMBL6155753 0.93 VDR (0.41) F2VDRMAOBMAOA
SCHEMBL6886925 0.87 VDR (0.34) VDR
SCHEMBL6158584 0.87 VDR (0.34) VDR
SCHEMBL6878947 0.85 MRGPRX4 (0.40) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6878959 0.85 MRGPRX4 (0.40) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL6884382 0.83 MAOB (0.50) 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 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