SCHEMBL3278871

SCHEMBL3278871

CC/C(=C\C=O)c1cccc(CCc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VDR P11473 6/20 0.46
BACE1 P56817 1/20 0.33
CYP4F2 P78329 2/20 0.30
CYP4A11 Q02928 2/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL3278876 1.00 VDR (0.46) VDRBACE1CYP4F2CYP4A11PTGS1
SCHEMBL3278878 1.00 VDR (0.46) VDRBACE1CYP4F2CYP4A11PTGS1
SCHEMBL3280029 0.89 VDR (0.45) VDRBACE1
SCHEMBL3280026 0.89 VDR (0.45) VDRBACE1
SCHEMBL3280019 0.89 VDR (0.45) VDRBACE1
SCHEMBL3279418 0.88 VDR (0.46) VDRBACE1
SCHEMBL3279424 0.88 VDR (0.46) VDRBACE1
SCHEMBL3279422 0.88 VDR (0.46) VDRBACE1
SCHEMBL3280115 0.87 VDR (0.41) VDRBACE1CYP4F2CYP4A11
SCHEMBL3279899 0.87 VDR (0.44) VDRBACE1CYP4F2CYP4A11PTGS1

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 5 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
EP-1395538-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-03-10 EP disclosed
WO-2002094754-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2002-11-28 WO disclosed