SCHEMBL14107938

SCHEMBL14107938

CCC(C)(/C=C/C=C/[C@@H](C)C1CCC2/C(=C/C=C3\CC(O[Si](C)(C)C(C)(C)C)C(=CCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C3)CCCC21C)CC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 18/20 0.47
▸ MEN1 O00255 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL14107936 0.91 VDR (0.53) VDR
SCHEMBL14107927 0.84 VDR (0.50) VDRMEN1NR1I2PGRKMT2A
SCHEMBL14107928 0.84 VDR (0.54) VDRMEN1NR1I2PGRKMT2A
SCHEMBL14107948 0.78 VDR (0.55) VDRMEN1NR1I2PGRKMT2A
SCHEMBL818214 0.78 VDR (0.51) VDR
SCHEMBL817092 0.78 VDR (0.51) VDR
SCHEMBL14107951 0.78 VDR (0.52) VDRMEN1NR1I2PGRKMT2A
SCHEMBL14107943 0.77 VDR (0.63) VDRMEN1NR1I2PGRKMT2A
SCHEMBL14107933 0.77 VDR (0.46) VDR
SCHEMBL14107930 0.77 VDR (0.52) 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
US-7402688-B2 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin D derivative WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-07-22 — — US disclosed
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