SCHEMBL5792368

SCHEMBL5792368

C[C@H](OCCC(C)(C)O)[C@H]1CC[C@@H]2/C(=C\C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]21C

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 9/20 0.76
▸ HDAC3 O15379 1/20 0.59
▸ HDAC6 Q9UBN7 1/20 0.59

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
SCHEMBL5792366 1.00 VDR (0.76) VDRHDAC3HDAC6
SCHEMBL5792370 1.00 VDR (0.76) VDRHDAC3HDAC6
SCHEMBL10125493 0.91 VDR (0.68) VDR
SCHEMBL14107795 0.91 VDR (0.77) VDR
SCHEMBL4168474 0.90 VDR (0.78) VDR
SCHEMBL20461085 0.89 VDR (0.73) VDR
SCHEMBL14107793 0.88 VDR (0.78) VDR
SCHEMBL14107794 0.88 VDR (0.65) VDR
SCHEMBL14107805 0.88 VDR (0.69) VDR
SCHEMBL14107804 0.88 VDR (0.64) 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
WO-2006042383-A1 VITAMIN-D ANALOGUE USEFUL IN A PHARMACEUTICAL COMPOSITION K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2006-04-27 — — WO disclosed
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