SCHEMBL3279422

SCHEMBL3279422

CC/C(=C/C=C/C(=O)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 7)

geneUniProtsupporting neighboursconfidence
VDR P11473 5/20 0.46
BACE1 P56817 1/20 0.34
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
PTAFR P25105 1/20 0.31
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 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
SCHEMBL3279424 1.00 VDR (0.46) VDRBACE1MTNR1AMTNR1BPTAFR
SCHEMBL3279418 1.00 VDR (0.46) VDRBACE1MTNR1AMTNR1BPTAFR
SCHEMBL6884293 0.89 BACE1 (0.35) VDRBACE1CYP26A1CYP26B1
SCHEMBL6884295 0.89 BACE1 (0.35) VDRBACE1CYP26A1CYP26B1
SCHEMBL6155830 0.89 BACE1 (0.35) VDRBACE1CYP26A1CYP26B1
SCHEMBL3280115 0.89 VDR (0.41) VDRBACE1
SCHEMBL3278871 0.88 VDR (0.46) VDRBACE1
SCHEMBL3278878 0.88 VDR (0.46) VDRBACE1
SCHEMBL3278876 0.88 VDR (0.46) VDRBACE1
SCHEMBL3280019 0.85 VDR (0.45) VDRBACE1

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-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 US disclosed