SCHEMBL6155843

SCHEMBL6155843

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
F10 P00742 1/20 0.40
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAOB P27338 2/20 0.39
F2 P00734 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
SCHEMBL2781757 0.90 VDR (0.48) MRGPRX4SMN1; SMN2RAB9ATP53PKM
SCHEMBL2107509 0.89 F2 (0.44) MAOBF2
SCHEMBL7775774 0.88 VDR (0.43) MAOBF2
SCHEMBL2783557 0.84 VDR (0.39) F10
SCHEMBL6155837 0.82 VDR (0.55) MRGPRX4SMN1; SMN2RAB9ATP53PKM
SCHEMBL6155848 0.82 VDR (0.55) MRGPRX4SMN1; SMN2RAB9ATP53PKM
SCHEMBL6155841 0.82 VDR (0.55) MRGPRX4SMN1; SMN2RAB9ATP53PKM
SCHEMBL6155497 0.80 VDR (0.46) MAOBF2
SCHEMBL2801801 0.80 VDR (0.55) MAOBF2
SCHEMBL6155591 0.79 VDR (0.62) MRGPRX4SMN1; SMN2RAB9ATP53PKM

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 8 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 claimed
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 claimed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP claimed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO claimed
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