SCHEMBL6154549

SCHEMBL6154549

CC(C)(CCCC(O)(C(F)(F)F)C(F)(F)F)c1cccc(OCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.49
MAOB P27338 3/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
ALOX5 P09917 2/20 0.38
NR4A2 P43354 1/20 0.37
PKM P14618 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPRB P23467 1/20 0.37
PTPN6 P29350 1/20 0.37
PTPN11 Q06124 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
BCL2 P10415 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL4169944 0.86 VDR (0.50) VDRMAOBMRGPRX4ALOX5NR4A2
SCHEMBL6155566 0.84 VDR (0.48) VDRMAOBMRGPRX4ALOX5NR4A2
SCHEMBL6155637 0.82 MAOB (0.40) MAOBMRGPRX4NR4A2PTPN2PTPN1
SCHEMBL6155836 0.79 VDR (0.49) VDRMAOB
SCHEMBL6154719 0.78 VDR (0.48) VDRMAOBMRGPRX4ALOX5NR4A2
SCHEMBL6564829 0.77 VDR (0.50) VDRMAOBMRGPRX4ALOX5NR4A2
SCHEMBL6156380 0.76 VDR (0.50) VDRMAOBMRGPRX4ALOX5PKM
SCHEMBL6155255 0.74 VDR (0.68) VDRMAOBNR4A2
SCHEMBL6155086 0.74 VDR (0.68) VDRMAOBNR4A2
SCHEMBL6155091 0.74 VDR (0.68) VDRMAOBNR4A2

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