SCHEMBL6468929

SCHEMBL6468929

Cc1cc(C(C)CCCc2cc(C)c(S(=O)(=O)N(C)CCC(=O)OC(C)(C)C)s2)ccc1OCC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VDR P11473 15/20 0.36
AR P10275 4/20 0.34

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
SCHEMBL6257986 0.89 VDR (0.37) VDRAR
SCHEMBL4479445 0.83 VDR (0.43) VDRAR
SCHEMBL6029274 0.81 VDR (0.39) VDRAR
SCHEMBL6264088 0.80 VDR (0.39) VDRAR
SCHEMBL3393172 0.78 VDR (0.53) VDRAR
SCHEMBL6259592 0.70 VDR (0.45) VDRAR
SCHEMBL6262203 0.70 VDR (0.45) VDRAR
SCHEMBL6262647 0.70 VDR (0.40) VDRAR
SCHEMBL3393186 0.69 VDR (0.55) VDRAR
SCHEMBL13675096 0.68 VDR (0.50) 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-1511740-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-09 EP disclosed
WO-2003101978-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-11 WO disclosed