SCHEMBL9050754

SCHEMBL9050754

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 11/20 0.72
ADRA1A P35348 3/20 0.65
LMNA P02545 2/20 0.65
ABCB11 O95342 2/20 0.65
AR P10275 1/20 0.65
ALDH1A1 P00352 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
CYP3A4 P08684 1/20 0.65
USP2 O75604 1/20 0.65
ESR1 P03372 1/20 0.65
HSPD1 P10809 1/20 0.65
PTGS1 P23219 1/20 0.65
HSPE1 P61604 1/20 0.65
TST Q16762 1/20 0.65
NR1I2 O75469 3/20 0.59
PGR P06401 3/20 0.59
ADORA3 P0DMS8 2/20 0.59

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
SCHEMBL9050757 1.00 VDR (0.72) VDRADRA1ALMNAABCB11AR
SCHEMBL7156998 0.92 VDR (0.62) VDRADRA1ALMNAABCB11AR
SCHEMBL14489178 0.92 VDR (0.62) VDRADRA1ALMNAABCB11AR
SCHEMBL15081679 0.92 VDR (0.62) VDRADRA1ALMNAABCB11AR
SCHEMBL12849126 0.90 VDR (0.57) VDRADRA1AABCB11NR1I2PGR
SCHEMBL9051796 0.89 VDR (0.64) VDRADRA1ALMNAABCB11AR
SCHEMBL15083872 0.89 VDR (0.59) VDRADRA1ALMNAABCB11AR
SCHEMBL7153800 0.88 VDR (0.72) VDRADRA1ALMNAABCB11AR
SCHEMBL9980582 0.88 VDR (0.72) VDRADRA1ALMNAABCB11AR
SCHEMBL7151839 0.85 VDR (0.58) VDRADRA1ALMNAABCB11AR

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
EP-0506388-B1 1-Hydroxyvitamin D derivatives NISSHIN FLOUR MILLING CO (JP) 1996-06-05 EP disclosed
EP-0506388-A1 1-Hydroxyvitamin D derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-09-30 EP disclosed