SCHEMBL6564932

SCHEMBL6564932

CCC(O)(CC)c1ccc(-c2sc(CCc3ccc(CO)c(CO)c3)cc2C)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
VDR P11473 4/20 0.61
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL6565142 0.87 VDR (0.61) VDR
SCHEMBL6563023 0.85 VDR (0.61) VDRESR2
SCHEMBL6564130 0.82 VDR (0.60) VDR
SCHEMBL6562980 0.82 VDR (0.83) VDRESR1
SCHEMBL6563004 0.81 VDR (0.51) VDRESR1ESR2
SCHEMBL6564956 0.79 VDR (0.62) VDR
SCHEMBL6565015 0.77 VDR (0.57) VDR
SCHEMBL2855063 0.76 VDR (1.00) VDR
SCHEMBL27568027 0.75 VDR (0.71) VDRESR1ESR2
SCHEMBL6564789 0.74 VDR (0.56) VDR

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