SCHEMBL6263276

SCHEMBL6263276

CCc1cc(C(CC)(CC)c2ccc(C(=O)N(CC)C(=O)OC)s2)ccc1OCC(C)(O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
VDR P11473 3/20 0.31

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
SCHEMBL6265154 0.94 PPARG (0.35) HDAC3HDAC6HPGDTSHRMAPK1
SCHEMBL6259415 0.92 HDAC3 (0.34) HDAC3HDAC6HPGDTSHRMAPK1
SCHEMBL6264664 0.91 HDAC3 (0.35) HDAC3HDAC6HPGDTSHRMAPK1
SCHEMBL6264657 0.86 PPARG (0.33) HDAC3HDAC6VDR
SCHEMBL3392513 0.85 HDAC3 (0.38) HDAC3HDAC6HPGDTSHRMAPK1
SCHEMBL6261408 0.84 HDAC3 (0.33) HDAC3HDAC6HPGDTSHRMAPK1
SCHEMBL12766170 0.80 HDAC3 (0.35) HDAC3HDAC6HPGDTSHRMAPK1
SCHEMBL13672821 0.80 PDE5A (0.35) HDAC3HDAC6HPGDTSHRMAPK1
SCHEMBL13857453 0.79 VDR (0.41) HDAC3HDAC6HPGDTSHRMAPK1
SCHEMBL13366701 0.79 VDR (0.41) HDAC3HDAC6HPGDTSHRMAPK1

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