SCHEMBL7606206

SCHEMBL7606206

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.38
CFD P00746 2/20 0.35
TPSB2 P20231 2/20 0.35
PTGS2 P35354 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
PRKCI P41743 1/20 0.32
FFAR1 O14842 1/20 0.32
F11 P03951 1/20 0.30
CDK8 P49336 1/20 0.30
MAP4K4 O95819 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 0.80 VDR (0.42) VDRPTGS2ACMSDPRKCIFFAR1
SCHEMBL7615200 0.75 VDR (0.52) VDR
SCHEMBL7606363 0.75 VDR (0.43) VDRFFAR1
SCHEMBL7608506 0.72 LTB4R (0.34) VDRPTGS2FFAR1
SCHEMBL7610502 0.71 VDR (0.42) VDRPTGS2FFAR1
SCHEMBL7606369 0.71 FFAR1 (0.43) VDRFFAR1
SCHEMBL7647798 0.71 VDR (0.39) VDR
SCHEMBL6564902 0.71 VDR (0.55) VDRACMSDPRKCIFFAR1
SCHEMBL6756665 0.71 VDR (0.47) VDR
SCHEMBL7608523 0.71 VDR (0.41) VDRFFAR1

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-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP claimed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO claimed
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