SCHEMBL6887126

SCHEMBL6887126

CCC(=CC=CC(=O)O)c1csc(COc2ccc(CO[Si](C)(C)C(C)(C)C)c(CO[Si](C)(C)C(C)(C)C)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.33
BACE1 P56817 1/20 0.31

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
SCHEMBL6887122 1.00 VDR (0.33) VDRBACE1
SCHEMBL6565052 1.00 VDR (0.33) VDRBACE1
SCHEMBL6889040 0.89 BACE1 (0.31) BACE1
SCHEMBL6566346 0.89 BACE1 (0.31) BACE1
SCHEMBL6889042 0.89 BACE1 (0.31) BACE1
SCHEMBL6564967 0.88 VDR (0.31) VDR
SCHEMBL6886436 0.88 VDR (0.31) VDR
SCHEMBL6886432 0.88 VDR (0.31) VDR
SCHEMBL6889853 0.87 VDR (0.46) VDR
SCHEMBL6564519 0.87 VDR (0.46) 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
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed