SCHEMBL6440947

SCHEMBL6440947

Cc1cc(CCCCCc2cc(C)c(CS(C)(=O)=O)s2)ccc1OCC(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VDR P11473 8/20 0.44
AR P10275 6/20 0.42
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
HDAC3 O15379 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3392740 0.76 VDR (0.65) VDRARHDAC3
SCHEMBL6264191 0.71 VDR (0.51) VDRAR
SCHEMBL5569801 0.71 VDR (0.53) VDRARPPARGPPARAFFAR4
SCHEMBL13366760 0.69 VDR (0.64) VDRARHDAC3
SCHEMBL5566469 0.69 VDR (0.51) VDRARFFAR4
SCHEMBL4479445 0.69 VDR (0.43) VDRAR
SCHEMBL12868260 0.66 VDR (0.70) VDRARTP53MAPT
SCHEMBL3850645 0.65 VDR (0.57) VDRAR
SCHEMBL5971618 0.65 VDR (0.40) VDRARPPARGPPARDPPARA
SCHEMBL6257981 0.65 MRGPRX4 (0.39) VDRARPPARGPPARDPPARA

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