SCHEMBL14107796

SCHEMBL14107796

CCC(O)(/C=C/C=C/[C@@H](C)C1CCC2/C(=C/C=C3C[C@@H](O)C4(CO4)[C@H](O)C3)CCCC21C)CC

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 16/20 0.66
▸ HDAC3 O15379 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL14107943 0.92 VDR (0.63) VDRHDAC3HDAC2HDAC6
SCHEMBL14107798 0.91 VDR (0.69) VDR
SCHEMBL14153952 0.88 VDR (0.56) VDRHDAC3HDAC2HDAC6
SCHEMBL14107929 0.88 VDR (0.70) VDRHDAC3HDAC2HDAC6
SCHEMBL14107797 0.88 VDR (0.65) VDR
SCHEMBL14107807 0.84 VDR (0.67) VDR
SCHEMBL14107788 0.84 VDR (0.71) VDR
SCHEMBL14107806 0.84 VDR (0.64) VDR
SCHEMBL14107951 0.82 VDR (0.52) VDRHDAC3HDAC2HDAC6
SCHEMBL14107948 0.81 VDR (0.55) VDR

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-7402688-B2 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin D derivative WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-07-22 — — US disclosed
US-7402688-B2 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin D derivative WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-07-22 — — US disclosed
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