SCHEMBL6155402

SCHEMBL6155402

CC(=O)c1cccc(COc2ccc(C(O)O)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.64
MAOB P27338 13/20 0.60
MAOA P21397 3/20 0.59
TP53 P04637 2/20 0.57
PKM P14618 2/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
RAB9A P51151 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57

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
SCHEMBL23189125 0.84 MAOB (0.82) MRGPRX4MAOBMAOATP53PKM
SCHEMBL21483709 0.81 MAOB (0.72) MRGPRX4MAOBMAOATP53PKM
SCHEMBL27385121 0.81 MRGPRX4 (0.68) MRGPRX4MAOBMAOATP53PKM
SCHEMBL13813140 0.81 MAOB (0.63) MRGPRX4MAOBMAOATP53PKM
SCHEMBL22480782 0.80 MRGPRX4 (0.76) MRGPRX4MAOBMAOATP53PKM
SCHEMBL6157345 0.80 MAOB (0.43) MAOBMAOA
SCHEMBL6960292 0.78 MRGPRX4 (0.72) MRGPRX4MAOBMAOATP53PKM
SCHEMBL21234292 0.78 MRGPRX4 (1.00) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6155391 0.77 MAOB (0.62) MRGPRX4MAOBMAOATP53PKM
SCHEMBL6155843 0.76 MRGPRX4 (0.46) MRGPRX4MAOBTP53PKMNFKB1

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 4 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
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
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