SCHEMBL6155650

SCHEMBL6155650

CC(=CC=CC(=O)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 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 18/20 0.42
TP53 P04637 2/20 0.40
PKM P14618 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
KLF5 Q13887 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.39

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 0.87 F2 (0.39) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6155834 0.87 RARA (0.33) MRGPRX4
SCHEMBL6154757 0.85 VDR (0.44) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6155257 0.84 MAOB (0.52) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6155760 0.80 VDR (0.42) MAOB
SCHEMBL6155477 0.79 RARA (0.33)
SCHEMBL3280514 0.76 VDR (0.41) MRGPRX4
SCHEMBL6564671 0.74 MRGPRX4 (0.30) MRGPRX4
SCHEMBL6155642 0.74 MRGPRX4 (0.40) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6155645 0.74 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 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