SCHEMBL6155645

SCHEMBL6155645

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 17/20 0.40
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 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
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
SCHEMBL6155642 1.00 MRGPRX4 (0.40) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6878953 0.90 MRGPRX4 (0.39) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6884293 0.88 BACE1 (0.35) MRGPRX4MAOB
SCHEMBL6884295 0.88 BACE1 (0.35) MRGPRX4MAOB
SCHEMBL6155830 0.88 BACE1 (0.35) MRGPRX4MAOB
SCHEMBL6885664 0.87 VDR (0.40) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6885661 0.87 VDR (0.40) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6156248 0.87 VDR (0.40) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6881388 0.85 VDR (0.49) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6881384 0.85 VDR (0.49) 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