SCHEMBL6259401

SCHEMBL6259401

CCC(CCc1ccc(OCC(O)(CC)CC)c(C)c1)c1cc(C)c(C(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
VDR P11473 4/20 0.40
FFAR4 Q5NUL3 13/20 0.37
FFAR1 O14842 7/20 0.37
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 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
SCHEMBL6265174 0.91 HDAC3 (0.42) HDAC3HDAC6VDRFFAR4FFAR1
SCHEMBL6278405 0.89 HDAC3 (0.39) HDAC3HDAC6VDRFFAR4FFAR1
SCHEMBL6259000 0.87 HDAC3 (0.39) HDAC3HDAC6VDRFFAR4FFAR1
SCHEMBL6262052 0.84 HDAC6 (0.43) HDAC3HDAC6VDR
SCHEMBL5971423 0.84 HDAC3 (0.38) HDAC3HDAC6VDRFFAR4FFAR1
SCHEMBL6259404 0.81 HDAC3 (0.41) HDAC3HDAC6VDRFFAR1
SCHEMBL6260601 0.80 VDR (0.43) HDAC3HDAC6VDRFFAR4FFAR1
SCHEMBL5971360 0.80 VDR (0.38) HDAC3HDAC6VDRPPARD
SCHEMBL5703376 0.80 HDAC3 (0.41) HDAC3HDAC6VDRFFAR4FFAR1
SCHEMBL5703383 0.80 HDAC3 (0.41) HDAC3HDAC6VDRFFAR4FFAR1

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