SCHEMBL6154719

SCHEMBL6154719

CCC(O)(CC)C(O)CCC(C)(C)c1cccc(OCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.48
ALOX5 P09917 6/20 0.39
PKM P14618 1/20 0.36
MAOB P27338 2/20 0.35
APP P05067 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL6154726 0.85 APP (0.39) ALOX5PKMMAOBAPPNR4A1
SCHEMBL6155666 0.84 VDR (0.39) VDR
SCHEMBL4169944 0.82 VDR (0.50) VDRALOX5PKMMAOBAPP
SCHEMBL6155566 0.81 VDR (0.48) VDRALOX5PKMMAOBNR4A2
SCHEMBL6154549 0.78 VDR (0.49) VDRALOX5PKMMAOBAPP
SCHEMBL6155992 0.76 VDR (0.62) VDRALOX5PKMMAOBNR4A1
SCHEMBL6156005 0.76 VDR (0.62) VDRALOX5PKMMAOBNR4A1
SCHEMBL6156380 0.74 VDR (0.50) VDRALOX5PKMMAOBMRGPRX4
SCHEMBL6155545 0.74 VDR (0.39) VDR
SCHEMBL6564829 0.73 VDR (0.50) VDRALOX5PKMMAOBAPP

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 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-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