SCHEMBL6259397

SCHEMBL6259397

CCC(CCc1cc(C)c(C(=O)OC)s1)c1ccc(CCC(O)C(C)(C)C)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6259389 0.89 HDAC3 (0.32) HDAC3HDAC6
SCHEMBL6262125 0.88 HDAC3 (0.32) HDAC3HDAC6SMN1; SMN2
SCHEMBL6263260 0.85 VDR (0.33) HDAC3HDAC6
SCHEMBL6258511 0.85 HDAC6 (0.43) HDAC3HDAC6
SCHEMBL6259393 0.81 HDAC3 (0.34) HDAC3HDAC6NPC1HTTRAB9A
SCHEMBL6258662 0.77 HDAC3 (0.30) HDAC3HDAC6
SCHEMBL6265176 0.77 HDAC3 (0.42) HDAC3HDAC6RAB9A
SCHEMBL3393336 0.77 HDAC3 (0.54) HDAC3HDAC6
SCHEMBL6265207 0.76 HDAC6 (0.43) HDAC3HDAC6
SCHEMBL6258571 0.75 HDAC6 (0.43) HDAC3HDAC6

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