SCHEMBL6562980

SCHEMBL6562980

CCC(O)(CC)c1ccc(-c2cc(CCc3ccc(CO)c(CO)c3)ccc2C)c(C)c1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.83
PTGDR2 Q9Y5Y4 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ESR1 P03372 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
SCHEMBL27568027 0.93 VDR (0.71) VDRCNR1CNR2ESR1
SCHEMBL2855063 0.91 VDR (1.00) VDRCNR1CNR2
SCHEMBL6563026 0.89 VDR (0.67) VDRCNR1CNR2
SCHEMBL27568046 0.88 VDR (0.65) VDRPTGDR2CNR1CNR2ESR1
SCHEMBL6565142 0.84 VDR (0.61) VDRPTGDR2
SCHEMBL6564192 0.84 VDR (0.68) VDR
SCHEMBL2854700 0.84 VDR (0.61) VDR
SCHEMBL6563028 0.83 VDR (0.60) VDR
SCHEMBL6564956 0.82 VDR (0.62) VDR
SCHEMBL4891909 0.82 VDR (0.84) VDRCNR1CNR2

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
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 claimed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP claimed
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