SCHEMBL6565165

SCHEMBL6565165

Cc1c(CNCc2ccc(CO)c(CO)c2)cccc1-c1cccc(C(F)(F)C(O)(F)C(F)(F)F)c1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 13/20 0.39
PDCD1 Q15116 9/20 0.39
TACR1 P25103 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
MC5R P33032 1/20 0.34
VDR P11473 1/20 0.34

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
SCHEMBL6564505 0.77 VDR (0.38) CD274PDCD1VDR
SCHEMBL6564946 0.76 VDR (0.39) CD274PDCD1VDR
SCHEMBL6565120 0.75 VDR (0.38) CD274PDCD1VDR
SCHEMBL6564892 0.74 VDR (0.38) CD274PDCD1VDR
SCHEMBL6564955 0.69 VDR (0.38) CD274PDCD1VDR
SCHEMBL6562827 0.67 VDR (0.35) CD274PDCD1VDR
SCHEMBL6564896 0.67 VDR (0.34) CD274PDCD1VDR
SCHEMBL6564984 0.66 VDR (0.39) VDR
SCHEMBL6564908 0.65 VDR (0.38) VDR
SCHEMBL16245269 0.61 PDCD1 (0.76) CD274PDCD1

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