SCHEMBL8770511

SCHEMBL8770511

C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CC(O)C(=O)C(C)(C)O)CC[C@@H]12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.72
▸ SREBF1 P36956 1/20 0.72
▸ VDR P11473 4/20 0.67
▸ MEN1 O00255 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ CYP3A4 P08684 3/20 0.67
▸ ALOX15 P16050 3/20 0.67
▸ HSPD1 P10809 2/20 0.67
▸ PTGS1 P23219 2/20 0.67
▸ HSPE1 P61604 2/20 0.67
▸ PGR P06401 2/20 0.67
▸ ADORA3 P0DMS8 2/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ CDC25A P30304 1/20 0.67
▸ HPGD P15428 1/20 0.67
▸ TBXA2R P21731 1/20 0.67
▸ GLRA1 P23415 1/20 0.67
▸ DRD3 P35462 1/20 0.67

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
SCHEMBL8770520 1.00 MAPT (0.72) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL18259374 1.00 MAPT (0.72) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL8769872 0.90 VDR (0.69) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL8063329 0.89 VDR (0.73) MAPTSMN1; SMN2VDRPGRADORA3
SCHEMBL19988214 0.89 VDR (0.73) MAPTSMN1; SMN2VDRPGRADORA3
SCHEMBL25254107 0.87 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL11204443 0.87 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL11206220 0.87 MAPT (0.73) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL8845618 0.87 MAPT (0.73) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL11208121 0.87 MAPT (0.73) 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
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