SCHEMBL8744020

SCHEMBL8744020

C=C1CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C/C1=C\C=C1CCC[C@]2(C)[C@@H]([C@@H](CCC(=O)O)CO[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]12.NC(=O)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ VDR P11473 2/20 0.41
▸ HSPD1 P10809 2/20 0.41
▸ PTGS1 P23219 2/20 0.41
▸ HSPE1 P61604 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CDC25A P30304 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ GLRA1 P23415 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8397625 0.84 VDR (0.48) MAPTVDRSMN1; SMN2PGRADORA3
SCHEMBL8400184 0.79 VDR (0.49) MAPTVDRSMN1; SMN2PGRADORA3
SCHEMBL8926438 0.75 ALDH1A1 (0.55) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL8743947 0.74 ALDH1A1 (0.45) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL8400073 0.73 VDR (0.49) VDRPGRADORA3ADRA1A
SCHEMBL8401174 0.73 VDR (0.49) VDRPGRADORA3ADRA1A
SCHEMBL8613230 0.73 VDR (0.57) MEN1KMT2AMAPTVDRSMN1; SMN2
SCHEMBL8400114 0.73 HDAC6 (0.44) VDRCDC25A
SCHEMBL8398550 0.72 VDR (0.47) MAPTVDRSMN1; SMN2PGRADORA3
SCHEMBL8400127 0.72 VDR (0.47) MAPTVDRSMN1; SMN2PGRADORA3

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-0751932-A1 VITAMIN-D AMIDE DERIVATIVES HOLMES, Michael John (GB) 1997-01-08 — — EP disclosed
WO-1995025718-A1 VITAMIN-D AMIDE DERIVATIVES HOLMES, MICHAEL, JOHN (GB) 1995-09-28 — — WO disclosed
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