SCHEMBL4632300

SCHEMBL4632300

CCN(CC)C(=O)c1ccc(C(CC)(CC)c2ccc(OCC(=O)C(C)(C)C)c(C)c2)o1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VDR P11473 16/20 0.64
AR P10275 5/20 0.53
HDAC3 O15379 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL4631780 0.91 VDR (0.65) VDRAR
SCHEMBL4631782 0.84 VDR (0.64) VDRAR
SCHEMBL14199190 0.80 VDR (0.37) VDRARHDAC3HDAC6
SCHEMBL7181681 0.80 VDR (1.00) VDRARHDAC3HDAC6
SCHEMBL29754394 0.80 VDR (1.00) VDRARHDAC3HDAC6
SCHEMBL4632264 0.78 VDR (0.47) VDRAR
SCHEMBL4632346 0.76 VDR (0.65) VDRAR
SCHEMBL3850228 0.76 VDR (0.61) VDRAR
SCHEMBL16183037 0.75 VDR (0.89) VDRARHDAC3HDAC6
SCHEMBL16177773 0.75 VDR (0.89) VDRARHDAC3HDAC6

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
EP-1692123-B1 PHENYL-FURAN COMPOUNDS AS VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2008-05-28 EP disclosed
EP-1692123-B1 PHENYL-FURAN COMPOUNDS AS VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2008-05-28 EP disclosed