SCHEMBL19670718

SCHEMBL19670718

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

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 11/20 0.64
▸ CYP24A1 Q07973 1/20 0.58

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
SCHEMBL14208311 0.95 VDR (0.58) VDRCYP24A1
SCHEMBL13218281 0.86 VDR (0.68) VDRCYP24A1
SCHEMBL13201355 0.86 VDR (0.68) VDRCYP24A1
SCHEMBL19288333 0.86 VDR (0.68) VDRCYP24A1
SCHEMBL4166112 0.86 VDR (0.63) VDRCYP24A1
SCHEMBL3524967 0.85 VDR (0.67) VDR
SCHEMBL3525289 0.85 VDR (0.67) VDR
SCHEMBL4164083 0.85 VDR (0.69) VDR
SCHEMBL9070738 0.85 VDR (0.71) VDRCYP24A1
SCHEMBL3520409 0.83 VDR (0.64) 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-9834512-B2 (22E)-2-methylene-26,27-cyclo-22-dehydro-1α-hydroxy-19-norvitamin D3 derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-12-05 — — US disclosed
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