SCHEMBL8831233

SCHEMBL8831233

CCCC(O)(CCC)COCC(C)(C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 12/20 0.54

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
SCHEMBL8831336 0.94 VDR (0.54) VDR
SCHEMBL8831689 0.89 VDR (0.59) VDR
SCHEMBL8831220 0.89 VDR (0.55) VDR
SCHEMBL8831420 0.86 VDR (0.65) VDR
SCHEMBL8831353 0.83 VDR (0.50) VDR
SCHEMBL9064038 0.81 VDR (0.62) VDR
SCHEMBL8992696 0.79 CYP19A1 (0.36) VDR
SCHEMBL8992693 0.79 CYP19A1 (0.36) VDR
SCHEMBL7732912 0.79 VDR (0.57) VDR
SCHEMBL8831303 0.77 VDR (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647219-B1 DERIVATIVES IN THE VITAMIN D SERIES MODIFIED AT THE 20 POSITION, A METHOD OF PREPARING SUCH DERIVATIVES, INTERMEDIATES USED IN THIS METHOD, PHARMACEUTICAL PREPARATIONS CONTAINING THE DERIVATIVES AND THEIR USE IN THE PREPARATION OF DRUGS SCHERING AG (DE) 1996-07-31 — — EP claimed
US-5700791-A TREATMENT OF HYPERPROLIFERATIVE DISEASES OF THE SKIN SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-23 — — US disclosed
US-5585368-A SKIN DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 1996-12-17 — — US disclosed
EP-0647219-B1 DERIVATIVES IN THE VITAMIN D SERIES MODIFIED AT THE 20 POSITION, A METHOD OF PREPARING SUCH DERIVATIVES, INTERMEDIATES USED IN THIS METHOD, PHARMACEUTICAL PREPARATIONS CONTAINING THE DERIVATIVES AND THEIR USE IN THE PREPARATION OF DRUGS SCHERING AG (DE) 1996-07-31 — — EP disclosed
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