SCHEMBL13201355

SCHEMBL13201355

C=C1[C@H](C)C/C(=C\C=C2/CCC[C@@]3(C)C2CCC3[C@@H](C)CC)C[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 11/20 0.68
▸ CYP24A1 Q07973 1/20 0.65

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
SCHEMBL13218281 1.00 VDR (0.68) VDRCYP24A1
Becocalcidiol SCHEMBL9009928 0.94 VDR (0.76) VDRCYP24A1
Becocalcidiol SCHEMBL9010345 0.94 VDR (0.76) VDRCYP24A1
Becocalcidiol SCHEMBL10820222 0.94 VDR (0.76) VDRCYP24A1
Becocalcidiol SCHEMBL23752370 0.94 VDR (0.76) VDRCYP24A1
Becocalcidiol SCHEMBL23752369 0.94 VDR (0.76) VDRCYP24A1
Becocalcidiol SCHEMBL13666147 0.94 VDR (0.76) VDRCYP24A1
Becocalcidiol SCHEMBL859793 0.94 VDR (0.76) VDRCYP24A1
Becocalcidiol SCHEMBL9009884 0.94 VDR (0.76) VDRCYP24A1
Becocalcidiol SCHEMBL798548 0.94 VDR (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41491-E1 for suppression of secondary hyperparathyroidism of renal osteodystrophy; treats autoimmune diseases, including multiple sclerosis, lupis, diabetes mellitus, host versus graft reaction, and rejection of organ transplants; antiinflammtory and anticarcinogenic agent WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-08-10 — — US disclosed
US-RE41474-E1 (20S)-1α-Hydroxy-2-Methylene-19-Nor-Bishomopregnacalciferol and its uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-08-03 — — US disclosed
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