SCHEMBL6225868

SCHEMBL6225868

CCC(CCc1ccc(C(=O)O)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VDR P11473 16/20 0.47
AR P10275 6/20 0.45

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
SCHEMBL6263044 0.90 VDR (0.49) VDRAR
SCHEMBL6062246 0.88 VDR (0.49) VDRAR
SCHEMBL5507815 0.88 VDR (0.45) VDRAR
SCHEMBL5509032 0.88 VDR (0.45) VDRAR
SCHEMBL5505759 0.87 VDR (0.44) VDRAR
SCHEMBL5971748 0.87 VDR (0.52) VDRAR
SCHEMBL6227729 0.85 HDAC6 (0.43) VDRAR
SCHEMBL6228546 0.85 HDAC6 (0.43) VDRAR
SCHEMBL6227863 0.85 VDR (0.50) VDRAR
SCHEMBL5703383 0.84 HDAC3 (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587906-A2 VESICANT TREATMENT WITH PHENYL-PHENYL TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-26 EP disclosed
EP-1565422-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-24 EP disclosed
WO-2004063345-A2 VESICANT TREATMENT WITH PHENYL-PHENYL TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2004048309-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-10 WO disclosed