SCHEMBL12437397

SCHEMBL12437397

CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1nc2ccc(C(N)=C=O)cc2o1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VDR P11473 17/20 0.54
AR P10275 5/20 0.46

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
SCHEMBL2319860 0.91 VDR (0.58) VDRAR
SCHEMBL2321350 0.88 VDR (0.59) VDRAR
SCHEMBL2320783 0.87 VDR (0.57) VDRAR
SCHEMBL2323415 0.86 VDR (0.56) VDRAR
SCHEMBL2319512 0.85 VDR (0.53) VDRAR
SCHEMBL2321242 0.84 VDR (0.58) VDRAR
SCHEMBL2323937 0.81 VDR (0.59) VDRAR
SCHEMBL2325769 0.80 VDR (0.57) VDRAR
SCHEMBL2325365 0.79 VDR (0.56) VDRAR
SCHEMBL2317577 0.78 VDR (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836177-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2011-08-10 EP disclosed