SCHEMBL6564902

SCHEMBL6564902

CCC(O)(CC)c1cccc(-c2cccc(CCc3ccc(CO)c(CO)c3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VDR P11473 5/20 0.55
CNR2 P34972 1/20 0.38
PRKCI P41743 1/20 0.34
FFAR1 O14842 1/20 0.33
MAOB P27338 1/20 0.33
SLC13A5 Q86YT5 1/20 0.32
PTPN5 P54829 1/20 0.32
ACMSD Q8TDX5 2/20 0.32
BCL2 P10415 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
GGPS1 O95749 2/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 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
SCHEMBL7606209 0.75 VDR (0.42) VDRPRKCIFFAR1ACMSDBCL2
SCHEMBL14713364 0.75 VDR (0.57) VDRCNR2
SCHEMBL6562980 0.74 VDR (0.83) VDRCNR2
SCHEMBL6756665 0.74 VDR (0.47) VDRCNR2
SCHEMBL6564607 0.73 VDR (0.57) VDRFFAR1MAOBSLC13A5BCL2
SCHEMBL4893153 0.73 VDR (0.83) VDRCNR2
SCHEMBL6155102 0.73 VDR (0.41) VDR
SCHEMBL6563039 0.71 VDR (0.52) VDRFFAR1
SCHEMBL6564130 0.71 VDR (0.60) VDR
SCHEMBL7606206 0.71 VDR (0.38) VDRPRKCIFFAR1ACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP claimed
CN-1423627-A Vitamin D analogues GALDERMA RES & DEV (FR) 2003-06-11 CN claimed
US-6831106-B1 Selective activity on cell proliferation and differentiation without displaying any hypercalcaemiant nature GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-14 US disclosed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP disclosed
CN-1423627-A Vitamin D analogues GALDERMA RES & DEV (FR) 2003-06-11 CN disclosed
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed