SCHEMBL22416528

SCHEMBL22416528

CC(CCC(F)(F)C(C)(C)O)C1CCC2/C(=C/C=C3/CCCC(O)C3)CCCC21C

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 11/20 0.67
▸ SREBF1 P36956 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL22416526 1.00 VDR (0.67) VDRSREBF1MAPTSMN1; SMN2
SCHEMBL16743044 0.93 VDR (0.78) VDR
SCHEMBL22394318 0.93 VDR (0.78) VDR
SCHEMBL22394317 0.93 VDR (0.78) VDR
SCHEMBL18269397 0.93 VDR (0.78) VDR
SCHEMBL18269404 0.93 VDR (0.78) VDR
SCHEMBL18271843 0.87 VDR (0.65) VDR
SCHEMBL22416487 0.87 VDR (0.65) VDR
SCHEMBL22416547 0.87 VDR (0.65) VDR
SCHEMBL22394316 0.87 VDR (0.78) VDR

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-3317250-B1 (20S)-1ALPHA,25-DIHYDROXY-24,24-DIFLUORO-19-NOR-VITAMIN D3 ANALOGS AND THEIR PHARMACEUTICAL USES WISCONSIN ALUMNI RES FOUND (US) 2020-09-09 — — EP disclosed
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