SCHEMBL13799475

SCHEMBL13799475

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

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 11/20 0.78
▸ CYP24A1 Q07973 1/20 0.75

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
SCHEMBL14261172 0.93 CYP24A1 (0.77) VDRCYP24A1
SCHEMBL14416721 0.93 CYP24A1 (0.77) VDRCYP24A1
SCHEMBL12190442 0.93 CYP24A1 (0.77) VDRCYP24A1
SCHEMBL9883791 0.93 CYP24A1 (0.77) VDRCYP24A1
SCHEMBL9009939 0.92 VDR (0.79) VDRCYP24A1
SCHEMBL861063 0.92 VDR (0.79) VDRCYP24A1
SCHEMBL13665667 0.92 VDR (0.79) VDRCYP24A1
SCHEMBL19601388 0.92 VDR (0.79) VDRCYP24A1
SCHEMBL9010586 0.92 VDR (0.79) VDRCYP24A1
SCHEMBL4168336 0.92 VDR (0.73) 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-7541349-B2 2-methylene-19-nor-(23S)-25-dehydro-1α-hydroxyvitamin D3-26,23-lactone and 2-methylene-19-nor-(23R)-25-dehydro-1α-hydroxyvitamin D3-26,23-lactone WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-06-02 — — US disclosed
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