SCHEMBL6258627

SCHEMBL6258627

CCC(c1ccc(C#N)cc1)C(C)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VDR P11473 16/20 0.50
AR P10275 6/20 0.47

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
SCHEMBL6229009 0.81 VDR (0.47) VDRAR
SCHEMBL1780642 0.79 VDR (0.45) VDRAR
SCHEMBL2969609 0.78 VDR (0.79) VDRAR
SCHEMBL4479443 0.76 VDR (0.47) VDRAR
SCHEMBL3858804 0.75 VDR (0.43) VDRAR
SCHEMBL3859963 0.75 VDR (0.43) VDRAR
SCHEMBL3850267 0.74 VDR (0.42) VDRAR
SCHEMBL12868260 0.69 VDR (0.70) VDRAR
SCHEMBL5971748 0.68 VDR (0.52) VDRAR
SCHEMBL6263044 0.68 VDR (0.49) VDRAR

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-1587906-A2 VESICANT TREATMENT WITH PHENYL-PHENYL TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-26 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