SCHEMBL6563004

SCHEMBL6563004

CCC(O)(CC)c1ccc(-c2sc(COc3ccc(CO)c(CO)c3)cc2C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.51
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PPARD Q03181 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
SCHEMBL6566493 0.88 VDR (0.51) VDR
SCHEMBL6566427 0.85 VDR (0.51) VDRESR1ESR2
SCHEMBL6566504 0.82 VDR (0.50) VDR
SCHEMBL6564932 0.81 VDR (0.61) VDRESR1ESR2
SCHEMBL6564145 0.78 VDR (0.55) VDRPPARD
SCHEMBL6562954 0.78 VDR (0.57) VDR
SCHEMBL6563025 0.77 VDR (0.58) VDRPPARD
SCHEMBL6564192 0.77 VDR (0.68) VDRPPARD
SCHEMBL6562993 0.76 VDR (0.65) VDR
SCHEMBL6563016 0.76 VDR (0.80) 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 2 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