SCHEMBL6565015

SCHEMBL6565015

CCc1cc(C(O)(CC)CC)ccc1-c1ccc(CCc2ccc(CO)c(CO)c2)s1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.57
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL6563023 0.90 VDR (0.61) VDR
SCHEMBL6566468 0.84 VDR (0.58) VDR
SCHEMBL6564789 0.82 VDR (0.56) VDR
SCHEMBL6562954 0.81 VDR (0.57) VDR
SCHEMBL4893153 0.79 VDR (0.83) VDR
SCHEMBL6565142 0.77 VDR (0.61) VDR
SCHEMBL6564932 0.77 VDR (0.61) VDR
SCHEMBL6564130 0.74 VDR (0.60) VDR
SCHEMBL6564956 0.74 VDR (0.62) VDR
SCHEMBL6562980 0.74 VDR (0.83) 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