SCHEMBL4402415

SCHEMBL4402415

CCC(=CC=CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(OCc2ccc(C(C)(C)O[SiH2]C(C)(C)C)c(C(C)(C)O[SiH2]C(C)(C)C)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.66
MAOB P27338 4/20 0.35
F2 P00734 6/20 0.34
NR4A2 P43354 2/20 0.34
NR4A1 P22736 1/20 0.34
NR4A3 Q92570 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.33

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
SCHEMBL3280260 0.88 VDR (0.62) VDR
SCHEMBL4412728 0.83 VDR (0.44) VDRMAOBF2NR4A2NR4A1
SCHEMBL6155760 0.81 VDR (0.42) VDRMAOBF2NR4A2NR4A1
SCHEMBL3280131 0.79 VDR (1.00) VDRMAOBF2NR4A2NR4A1
SCHEMBL3280121 0.79 VDR (1.00) VDRMAOBF2NR4A2NR4A1
SCHEMBL3280127 0.79 VDR (1.00) VDRMAOBF2NR4A2NR4A1
SCHEMBL6564851 0.79 VDR (0.42) VDR
SCHEMBL3280129 0.78 VDR (0.72) VDRMAOBF2NR4A2NR4A1
SCHEMBL3279968 0.76 VDR (0.73) VDRMAOBF2NR4A2NR4A1
SCHEMBL3279689 0.76 VDR (0.73) VDRMAOBF2NR4A2NR4A1

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-1395538-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2009-12-30 EP disclosed