SCHEMBL13824840

SCHEMBL13824840

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

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP24A1 Q07973 1/20 0.78
▸ VDR P11473 11/20 0.77

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
SCHEMBL13343100 1.00 CYP24A1 (0.78) CYP24A1VDR
SCHEMBL9009949 1.00 CYP24A1 (0.78) CYP24A1VDR
SCHEMBL14802244 0.97 CYP24A1 (0.77) CYP24A1VDR
SCHEMBL22422513 0.97 CYP24A1 (0.77) CYP24A1VDR
SCHEMBL12641460 0.97 CYP24A1 (0.77) CYP24A1VDR
SCHEMBL12190408 0.97 CYP24A1 (0.77) CYP24A1VDR
SCHEMBL12371707 0.97 CYP24A1 (0.77) CYP24A1VDR
SCHEMBL9010586 0.94 VDR (0.79) CYP24A1VDR
SCHEMBL19601388 0.94 VDR (0.79) CYP24A1VDR
SCHEMBL861063 0.94 VDR (0.79) CYP24A1VDR

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
WO-2012151420-A1 2α-METHYL AND 2β-METHYL ANALOGS OF 19,26-DINOR-1α, 25-DIHYDROXYVITAMIN D3 AND THEIR USES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-11-08 — — WO disclosed
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