Sugi Predict

Sugi Predict / Compounds / SCHEMBL13759538

SCHEMBL13759538

SCHEMBL13759538

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

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 10/20 0.73

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
SCHEMBL2609511 1.00 VDR (0.73) VDR
SCHEMBL2609785 1.00 VDR (0.73) VDR
SCHEMBL15371108 1.00 VDR (0.73) VDR
SCHEMBL859703 1.00 VDR (0.73) VDR
SCHEMBL14647794 1.00 VDR (0.73) VDR
SCHEMBL9009975 1.00 VDR (0.73) VDR
SCHEMBL15371112 1.00 VDR (0.73) VDR
SCHEMBL14494338 1.00 VDR (0.73) VDR
SCHEMBL14494340 0.94 VDR (0.73) VDR
SCHEMBL13899800 0.94 VDR (0.73) VDR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853274-B1 2-METHYLENE-19-NOR- (20S-24S) - 1ALPHA, 25-DIHYDROXYVITAMINE-D2 WISCONSIN ALUMNI RES FOUND (US) 2013-01-23 — — EP disclosed
US-7563783-B2 2-methylene-19-nor-(20S-24S)-1α,25-dihydroxyvitamin-D2 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-07-21 — — US disclosed
US-7563783-B2 2-methylene-19-nor-(20S-24S)-1α,25-dihydroxyvitamin-D2 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-07-21 — — US disclosed
US-7511030-B2 2-methylene-19-nor-(20S-24epi)-1α,25-dihydroxyvitamin D2 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-03-31 — — US disclosed
Send feedback