SCHEMBL6264191

SCHEMBL6264191

CCc1ccsc1CCCc1ccc(OCC(=O)C(C)(C)C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 11/20 0.51
AR P10275 6/20 0.48
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LTB4R Q15722 2/20 0.40

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
SCHEMBL5569801 0.77 VDR (0.53) VDRAR
SCHEMBL5566469 0.75 VDR (0.51) VDRAR
SCHEMBL5568949 0.71 VDR (0.43) VDRARKDM4EALDH1A1
SCHEMBL6440947 0.71 VDR (0.44) VDRAR
SCHEMBL5861034 0.70 PPARD (0.54) KDM4E
SCHEMBL5569422 0.70 VDR (0.42) VDRARKDM4EALDH1A1
SCHEMBL12868260 0.69 VDR (0.70) VDRARALDH1A1
SCHEMBL7181681 0.69 VDR (1.00) VDRAR
SCHEMBL29754394 0.69 VDR (1.00) VDRAR
SCHEMBL13712037 0.67 VDR (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587905-A3 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-12-14 EP disclosed
EP-1587905-A2 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-26 EP disclosed
WO-2004063348-A2 VESICANT TREATMENT WITH PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed