SCHEMBL6264657

SCHEMBL6264657

CCCc1cc(C(CC)(CC)c2ccc(C(=O)N(CC)C(=O)O)s2)ccc1OCC(C)(O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
HDAC3 O15379 4/20 0.32
HDAC6 Q9UBN7 3/20 0.32
CNR2 P34972 1/20 0.31
VDR P11473 1/20 0.30

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
SCHEMBL6259415 0.94 HDAC3 (0.34) HDAC3HDAC6CNR2VDR
SCHEMBL6265154 0.92 PPARG (0.35) PPARGPPARDPPARAHDAC3HDAC6
SCHEMBL3390961 0.88 HDAC3 (0.36) PPARGPPARDPPARAHDAC3HDAC6
SCHEMBL6261408 0.88 HDAC3 (0.33) PPARAHDAC3HDAC6VDR
SCHEMBL6263276 0.86 HDAC3 (0.35) HDAC3HDAC6VDR
SCHEMBL3392513 0.81 HDAC3 (0.38) HDAC3HDAC6CNR2VDR
SCHEMBL13366789 0.81 VDR (0.39) PPARGPPARDPPARAHDAC3HDAC6
SCHEMBL6264664 0.80 HDAC3 (0.35) HDAC3HDAC6VDR
SCHEMBL13366814 0.79 PPARG (0.34) PPARGPPARDPPARAHDAC3HDAC6
SCHEMBL3395376 0.76 HDAC3 (0.47) HDAC3HDAC6VDR

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 5 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
EP-1511740-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-09 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
WO-2003101978-A1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-12-11 WO disclosed