SCHEMBL6562832

SCHEMBL6562832

Cc1cccc(-c2ccc(COc3ccc(CO)c(CO)c3)s2)c1C(O)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.35
FFAR1 O14842 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PDK2 Q15119 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
SCHEMBL6564900 0.84 VDR (0.34) VDRPDCD1CD274PDK2
SCHEMBL6564961 0.84 VDR (0.38) VDRFFAR1PDK2
SCHEMBL6565124 0.83 VDR (0.38) VDR
SCHEMBL6562827 0.79 VDR (0.35) VDRPDCD1CD274PDK2
SCHEMBL6564186 0.78 VDR (0.35) VDRPDK2
SCHEMBL7638648 0.76 VDR (0.40) VDRFFAR1
SCHEMBL6890707 0.74 VDR (0.35) VDRFFAR1PDCD1CD274PDK2
SCHEMBL6564553 0.74 VDR (0.39) VDRPDK2
SCHEMBL6564520 0.74 VDR (0.35) VDRPDCD1CD274PDK2
SCHEMBL6566427 0.73 VDR (0.51) VDRFFAR1

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