SCHEMBL6564512

SCHEMBL6564512

CCc1c(-c2csc(COc3ccc(CO)c(CO)c3)c2)cccc1C(F)(F)C(O)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.35
PDK2 Q15119 1/20 0.32
SQLE Q14534 2/20 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
SCHEMBL6564896 0.89 VDR (0.34) VDRPDK2
SCHEMBL6564186 0.85 VDR (0.35) VDRPDK2
SCHEMBL6564550 0.84 VDR (0.39) VDRPDK2
SCHEMBL6564908 0.84 VDR (0.38) VDR
SCHEMBL6564520 0.81 VDR (0.35) VDRPDK2SQLE
SCHEMBL6564900 0.78 VDR (0.34) VDRPDK2
SCHEMBL6890707 0.78 VDR (0.35) VDRPDK2
SCHEMBL6562827 0.75 VDR (0.35) VDRPDK2
SCHEMBL6564955 0.75 VDR (0.38) VDRPDK2
SCHEMBL6564984 0.72 VDR (0.39) VDRPDK2

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