SCHEMBL6563980

SCHEMBL6563980

CC/C(=C\CCC(O)(CC)CC)c1cncc(COc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.44
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
ACHE P22303 1/20 0.30
MAOB P27338 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
SCHEMBL6563996 1.00 VDR (0.44) VDRCYP4F2CYP4A11ACHEMAOB
SCHEMBL6563985 1.00 VDR (0.44) VDRCYP4F2CYP4A11ACHEMAOB
SCHEMBL6566386 0.89 VDR (0.39) VDRCYP4F2CYP4A11ACHEMAOB
SCHEMBL6566376 0.89 VDR (0.39) VDRCYP4F2CYP4A11ACHEMAOB
SCHEMBL6566371 0.89 VDR (0.39) VDRCYP4F2CYP4A11ACHEMAOB
SCHEMBL2783371 0.86 VDR (0.57) VDR
SCHEMBL2783367 0.86 VDR (0.57) VDR
SCHEMBL2783364 0.86 VDR (0.57) VDR
SCHEMBL6563990 0.83 MRGPRX4 (0.32) CYP4F2CYP4A11
SCHEMBL6562882 0.83 CYP4F2 (0.34) CYP4F2CYP4A11MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed
EP-1235824-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038320-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed