SCHEMBL8676273

SCHEMBL8676273

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 12/20 0.53
▸ HDAC6 Q9UBN7 5/20 0.53
▸ HDAC3 O15379 4/20 0.53
▸ HDAC2 Q92769 3/20 0.52

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
SCHEMBL3188080 0.88 VDR (0.61) VDRHDAC6HDAC3HDAC2
SCHEMBL13531914 0.88 VDR (0.61) VDRHDAC6HDAC3HDAC2
SCHEMBL25894631 0.88 VDR (0.59) VDR
SCHEMBL3186492 0.88 VDR (0.60) VDRHDAC6HDAC3HDAC2
SCHEMBL8559729 0.86 VDR (0.56) VDRHDAC6HDAC3
SCHEMBL25314634 0.86 VDR (0.56) VDR
SCHEMBL8090252 0.86 VDR (0.56) VDR
SCHEMBL25895008 0.86 VDR (0.56) VDR
SCHEMBL25314638 0.86 VDR (0.56) VDR
SCHEMBL25410119 0.85 VDR (0.53) VDRHDAC6HDAC3HDAC2

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-5827883-A TOPICAL DRUG DELIVERY; SIDE EFFECT REDUCTION HOFFMANN-LA ROCHE INC. (US) 1998-10-27 — — US disclosed
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