SCHEMBL6563981

SCHEMBL6563981

CC/C(=C/C=C/C(O)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)c1ccc(COc2ccc(CO)c(CO)c2)s1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.54
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL6563975 1.00 VDR (0.54) VDRHDAC4HDAC6
SCHEMBL6564124 1.00 VDR (0.54) VDRHDAC4HDAC6
SCHEMBL6564790 0.94 VDR (0.60) VDRHDAC4HDAC6
SCHEMBL6564799 0.94 VDR (0.60) VDRHDAC4HDAC6
SCHEMBL6564785 0.94 VDR (0.60) VDRHDAC4HDAC6
SCHEMBL6564921 0.88 VDR (0.58) VDR
SCHEMBL6564915 0.88 VDR (0.58) VDR
SCHEMBL6564930 0.88 VDR (0.58) VDR
SCHEMBL6563082 0.83 VDR (0.60) VDR
SCHEMBL6563087 0.83 VDR (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP claimed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US claimed
EP-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed