SCHEMBL6562827

SCHEMBL6562827

Cc1c(-c2ccc(COc3ccc(CO)c(CO)c3)s2)cccc1C(F)(F)C(O)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.35
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PDK2 Q15119 1/20 0.32
CD274 Q9NZQ7 4/20 0.32
PDCD1 Q15116 2/20 0.32
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL6564186 0.89 VDR (0.35) VDRNR1H2NR1H3PDK2
SCHEMBL6564896 0.84 VDR (0.34) VDRPDK2CD274PDCD1HDAC6
SCHEMBL6564955 0.84 VDR (0.38) VDRNR1H2NR1H3PDK2CD274
SCHEMBL6565120 0.83 VDR (0.38) VDRNR1H2NR1H3CD274PDCD1
SCHEMBL6562832 0.79 VDR (0.35) VDRPDK2CD274PDCD1
SCHEMBL6564512 0.75 VDR (0.35) VDRPDK2
SCHEMBL6564550 0.73 VDR (0.39) VDRPDK2
SCHEMBL6564946 0.72 VDR (0.39) VDRCD274PDCD1
SCHEMBL6563014 0.72 VDR (0.39) VDRNR1H2NR1H3
SCHEMBL6566427 0.71 VDR (0.51) VDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP claimed