SCHEMBL13675292

SCHEMBL13675292

CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1cc(C)c(C[S+](C)[O-])s1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VDR P11473 15/20 0.63
HDAC3 O15379 2/20 0.53
AR P10275 5/20 0.53
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL13366677 0.86 VDR (0.70) VDRHDAC3ARHDAC6
SCHEMBL13672888 0.85 VDR (0.68) VDRHDAC3ARHDAC6
SCHEMBL13366693 0.85 VDR (0.68) VDRHDAC3ARHDAC6
SCHEMBL3392740 0.84 VDR (0.65) VDRHDAC3ARHDAC6
SCHEMBL13672884 0.83 VDR (0.64) VDRHDAC3ARHDAC6
SCHEMBL13672883 0.83 VDR (0.64) VDRHDAC3ARHDAC6
SCHEMBL13786262 0.82 HDAC6 (0.65) VDRHDAC3ARHDAC6
SCHEMBL13366694 0.82 VDR (0.63) VDRHDAC3ARHDAC6
SCHEMBL13786333 0.81 VDR (0.61) VDRHDAC3ARHDAC6
SCHEMBL13672882 0.80 VDR (0.60) VDRHDAC3ARHDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
EP-1511740-B1 PHENYL-THIOPHENE TYPE VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-07-08 EP disclosed