SCHEMBL18023733

SCHEMBL18023733

C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C\C=C1/CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)OCC1OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 5/20 0.49
▸ MAPT P10636 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ SREBF1 P36956 1/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ ALOX15 P16050 3/20 0.47
▸ HSPD1 P10809 2/20 0.47
▸ PTGS1 P23219 2/20 0.47
▸ HSPE1 P61604 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CDC25A P30304 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ GLRA1 P23415 1/20 0.47
▸ DRD3 P35462 1/20 0.47

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
SCHEMBL18021756 1.00 VDR (0.49) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL23464257 0.88 VDR (0.52) VDRMAPTSMN1; SMN2PGRADORA3
SCHEMBL20461051 0.88 VDR (0.65) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL18023723 0.88 VDR (0.65) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL18021744 0.88 VDR (0.65) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL14112585 0.86 MAPT (0.56) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL20461021 0.86 ALDH1A1 (0.54) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL18023732 0.86 ALDH1A1 (0.54) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL20461000 0.86 ALDH1A1 (0.54) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL18021750 0.86 ALDH1A1 (0.54) VDRMAPTSMN1; SMN2SREBF1MEN1

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-3056491-A1 SYNTHETIC INTERMEDIATE OF MAXACALCITOL, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) 2016-08-17 — — EP disclosed
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