SCHEMBL6564946

SCHEMBL6564946

Cc1c(-c2cc(CCc3ccc(CO)c(CO)c3)cs2)cccc1C(F)(F)C(O)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.39
PDCD1 Q15116 3/20 0.31
CD274 Q9NZQ7 3/20 0.31
OPRK1 P41145 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
SCHEMBL6564984 0.88 VDR (0.39) VDR
SCHEMBL6565120 0.85 VDR (0.38) VDRPDCD1CD274OPRK1
SCHEMBL6564505 0.85 VDR (0.38) VDRPDCD1CD274OPRK1
SCHEMBL6564955 0.85 VDR (0.38) VDRPDCD1CD274
SCHEMBL6564892 0.84 VDR (0.38) VDRPDCD1CD274OPRK1
SCHEMBL6564949 0.78 VDR (0.39) VDR
SCHEMBL6565165 0.76 CD274 (0.39) VDRPDCD1CD274
SCHEMBL6564989 0.75 VDR (0.40) VDR
SCHEMBL6564908 0.75 VDR (0.38) VDR
SCHEMBL6563014 0.74 VDR (0.39) 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