SCHEMBL8769851

SCHEMBL8769851

C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)CC[C@@H](O)C(C)(C)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
SREBF1 P36956 1/20 0.60
VDR P11473 7/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 2/20 0.56
ALOX15 P16050 2/20 0.56
PGR P06401 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
CDC25A P30304 1/20 0.56
HSPD1 P10809 1/20 0.56
HPGD P15428 1/20 0.56
TBXA2R P21731 1/20 0.56
PTGS1 P23219 1/20 0.56
GLRA1 P23415 1/20 0.56
DRD3 P35462 1/20 0.56
HSPE1 P61604 1/20 0.56

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
SCHEMBL5433646 0.91 VDR (0.60) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL5437551 0.91 VDR (0.60) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL8090430 0.90 MAPT (0.57) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL8769871 0.89 MAPT (0.58) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL7264390 0.89 VDR (0.69) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL14112585 0.89 MAPT (0.56) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL20461021 0.89 ALDH1A1 (0.54) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL18021750 0.89 ALDH1A1 (0.54) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL18023732 0.89 ALDH1A1 (0.54) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL20461000 0.89 ALDH1A1 (0.54) MAPTSMN1; SMN2SREBF1VDRMEN1

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
EP-0794175-A2 Process for producing vitamin D3 derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-09-10 EP disclosed