SCHEMBL6259003

SCHEMBL6259003

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
VDR P11473 13/20 0.36
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
F2 P00734 1/20 0.31
F10 P00742 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
SCHEMBL6278407 0.93 HDAC6 (0.39) HDAC3HDAC6VDRTAS1R3TAS1R1
SCHEMBL6265176 0.89 HDAC3 (0.42) HDAC3HDAC6VDRTAS1R3TAS1R1
SCHEMBL6259404 0.87 HDAC3 (0.41) HDAC3HDAC6VDR
SCHEMBL6259000 0.83 HDAC3 (0.39) HDAC3HDAC6VDRTAS1R3TAS1R1
SCHEMBL3392543 0.80 HDAC3 (0.39) HDAC3HDAC6VDR
SCHEMBL6261217 0.79 VDR (0.49) HDAC3HDAC6VDR
SCHEMBL6262125 0.79 HDAC3 (0.32) HDAC3HDAC6F2F10
SCHEMBL5971817 0.77 HDAC3 (0.38) HDAC3HDAC6VDRTAS1R3TAS1R1
SCHEMBL3392542 0.77 HDAC3 (0.53) HDAC3HDAC6VDR
SCHEMBL5971357 0.77 VDR (0.38) HDAC3HDAC6VDRTAS1R3TAS1R1

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