SCHEMBL13759532

SCHEMBL13759532

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 5/20 0.49
▸ LMNA P02545 2/20 0.44
▸ AR P10275 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ HSPD1 P10809 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ HSPE1 P61604 1/20 0.44
▸ TST Q16762 1/20 0.44

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
SCHEMBL14494394 0.94 VDR (0.46) VDR
SCHEMBL14489015 0.89 VDR (0.46) VDRLMNAARALDH1A1ALOX15
SCHEMBL12749793 0.86 VDR (0.49) VDR
SCHEMBL14494383 0.86 VDR (0.49) VDR
SCHEMBL19670744 0.86 VDR (0.49) VDR
SCHEMBL3184891 0.86 VDR (0.53) VDR
SCHEMBL14523030 0.86 VDR (0.52) VDR
SCHEMBL10019067 0.84 VDR (0.52) VDR
SCHEMBL13297559 0.84 VDR (0.52) VDR
SCHEMBL13525348 0.84 VDR (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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