SCHEMBL14254352

SCHEMBL14254352

Bc1ccc(C(CC)(CC)c2ccc(OCC(=O)C(C)(C)C)c(C)c2)cc1

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 12/20 0.85
AR P10275 5/20 0.67
HDAC6 Q9UBN7 4/20 0.54
HDAC3 O15379 3/20 0.54
HDAC1 Q13547 1/20 0.51

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
SCHEMBL29754394 0.92 VDR (1.00) VDRARHDAC6HDAC3HDAC1
SCHEMBL7181681 0.92 VDR (1.00) VDRARHDAC6HDAC3HDAC1
SCHEMBL16183080 0.90 VDR (0.89) VDRARHDAC6HDAC3HDAC1
SCHEMBL15059136 0.88 VDR (0.87) VDRARHDAC6HDAC3
SCHEMBL2973082 0.87 VDR (0.85) VDRARHDAC6HDAC3HDAC1
SCHEMBL16183037 0.87 VDR (0.89) VDRARHDAC6HDAC3HDAC1
SCHEMBL16177773 0.87 VDR (0.89) VDRARHDAC6HDAC3
SCHEMBL2965724 0.86 VDR (0.82) VDRARHDAC6HDAC3
SCHEMBL2944811 0.86 VDR (0.87) VDRARHDAC6HDAC3
SCHEMBL20059753 0.86 VDR (0.87) VDRARHDAC6HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1894911-A1 VITAMIN D-LIKE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-03-05 EP disclosed