SCHEMBL20461052

SCHEMBL20461052

CC1/C(=C/C=C2\CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)OCCC(C)(C)O)CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 12/20 0.62
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ GC P02774 1/20 0.48
▸ PGR P06401 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ RXRA P19793 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ AGTR1 P30556 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ OPRK1 P41145 1/20 0.48

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
SCHEMBL20461073 0.89 VDR (0.59) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL20461085 0.88 VDR (0.73) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL20461068 0.86 VDR (0.79) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL18021748 0.86 VDR (0.79) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL18023721 0.86 VDR (0.79) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL23464432 0.85 VDR (0.69) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL14107907 0.84 VDR (0.61) VDR
SCHEMBL18021744 0.84 VDR (0.65) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL20461051 0.84 VDR (0.65) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL18023723 0.84 VDR (0.65) VDRMAPTSMN1; SMN2NR1I2ABCB11

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-B1 SYNTHETIC INTERMEDIATE OF MAXACALCITOL, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2018-08-08 — — EP disclosed
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