SCHEMBL3280271

SCHEMBL3280271

C#C/C=C(/CC)c1cccc(OCc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.48
MAOB P27338 12/20 0.38
NR4A2 P43354 2/20 0.37
NR4A1 P22736 1/20 0.37
NR4A3 Q92570 1/20 0.37
MAOA P21397 4/20 0.36
F2 P00734 3/20 0.35

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
SCHEMBL3280003 0.87 VDR (0.41) VDR
SCHEMBL3279995 0.87 VDR (0.41) VDR
SCHEMBL3280000 0.87 VDR (0.41) VDR
SCHEMBL3285825 0.87 VDR (0.49) VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3280269 0.87 VDR (0.49) VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3285828 0.87 VDR (0.49) VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3280564 0.81 VDR (0.47) VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3280570 0.81 VDR (0.47) VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3280573 0.81 VDR (0.47) VDRMAOBNR4A2NR4A1NR4A3
SCHEMBL3279961 0.81 VDR (0.73) VDRMAOBNR4A2NR4A1NR4A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 US disclosed
EP-1395538-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2009-12-30 EP disclosed
US-20040224929-A1 Novel vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-11-11 US disclosed