SCHEMBL4631782

SCHEMBL4631782

CCNC(=O)c1ccc(C(CC)(CC)c2ccc(OCC(=O)C(C)(C)C)c(C)c2)o1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VDR P11473 18/20 0.64
AR P10275 4/20 0.53

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
SCHEMBL4631780 0.84 VDR (0.65) VDRAR
SCHEMBL4632300 0.84 VDR (0.64) VDRAR
SCHEMBL7181681 0.80 VDR (1.00) VDRAR
SCHEMBL29754394 0.80 VDR (1.00) VDRAR
SCHEMBL3850228 0.76 VDR (0.61) VDRAR
SCHEMBL16183037 0.75 VDR (0.89) VDRAR
SCHEMBL16183080 0.75 VDR (0.89) VDRAR
SCHEMBL16177773 0.75 VDR (0.89) VDRAR
SCHEMBL3856004 0.75 VDR (0.60) VDRAR
SCHEMBL5970905 0.75 VDR (0.60) 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-1692123-B1 PHENYL-FURAN COMPOUNDS AS VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2008-05-28 EP disclosed