SCHEMBL13759523

SCHEMBL13759523

C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)C([C@@H](C)CC[C@H](C)C(C)(C)C)CC[C@@H]23)C[C@H]1O

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 5/20 0.75
▸ CYP24A1 Q07973 1/20 0.71

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
SCHEMBL19288068 0.93 VDR (0.77) VDRCYP24A1
SCHEMBL13852412 0.90 VDR (0.75) VDRCYP24A1
SCHEMBL4153161 0.90 VDR (0.75) VDRCYP24A1
SCHEMBL9009904 0.90 VDR (0.77) VDRCYP24A1
SCHEMBL12615600 0.90 VDR (0.77) VDRCYP24A1
SCHEMBL19484293 0.90 VDR (0.77) VDRCYP24A1
SCHEMBL13799475 0.89 VDR (0.78) VDRCYP24A1
SCHEMBL19601388 0.89 VDR (0.79) VDRCYP24A1
SCHEMBL861063 0.89 VDR (0.79) VDRCYP24A1
SCHEMBL9010586 0.89 VDR (0.79) VDRCYP24A1

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
US-7563783-B2 2-methylene-19-nor-(20S-24S)-1α,25-dihydroxyvitamin-D2 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-07-21 — — US disclosed
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