SCHEMBL8063708

SCHEMBL8063708

C[C@H](C=O)[C@H]1CC[C@H]2C(=CC=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 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 10/20 0.48
▸ HDAC3 O15379 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC2 Q92769 1/20 0.46

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
SCHEMBL26326335 1.00 VDR (0.48) VDRHDAC3HDAC6HDAC2
SCHEMBL3179666 1.00 VDR (0.48) VDRHDAC3HDAC6HDAC2
SCHEMBL12398151 0.95 VDR (0.45) VDRHDAC3HDAC6HDAC2
SCHEMBL8527105 0.91 VDR (0.46) VDRHDAC3HDAC6HDAC2
SCHEMBL14569115 0.91 VDR (0.51) VDRHDAC6
SCHEMBL3178247 0.90 VDR (0.54) VDRHDAC3HDAC6HDAC2
SCHEMBL25410119 0.89 VDR (0.53) VDRHDAC3HDAC6HDAC2
SCHEMBL25894696 0.89 VDR (0.53) VDRHDAC3HDAC6HDAC2
SCHEMBL25894630 0.89 VDR (0.53) VDRHDAC3HDAC6HDAC2
SCHEMBL25410122 0.89 VDR (0.53) VDRHDAC3HDAC6HDAC2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734376-B1 VITAMIN D AMINE AND AMIDE DERIVATIVES RES INST FOR (US) 2000-09-20 — — EP disclosed
US-6013814-A Vitamin D analogues RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY, INC. (US) 2000-01-11 — — US disclosed
EP-0751932-B1 VITAMIN-D AMIDE DERIVATIVES RES INST MEDICINE CHEM (US) 1999-06-09 — — EP disclosed
US-5872140-A Vitamin D analogues RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY, INC. (US) 1999-02-16 — — US disclosed
EP-0710227-B1 VITAMIN D ANALOGUES RES INST MEDICINE CHEM (US) 1998-10-21 — — EP disclosed
US-5811562-A Vitamin-D amide derivatives RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC. (US) 1998-09-22 — — US disclosed
EP-0696275-B1 VITAMIN D AMIDE DERIVATIVES RES INST MEDICINE CHEM (US) 1998-08-12 — — EP disclosed
US-5786347-A Vitamin D amine and amide derivatives RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY, INC. (US) 1998-07-28 — — US disclosed
US-5756733-A Vitamin D amide derivatives RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY (US) 1998-05-26 — — US disclosed
EP-0751932-A1 VITAMIN-D AMIDE DERIVATIVES HOLMES, Michael John (GB) 1997-01-08 — — EP disclosed
EP-0734376-A1 VITAMIN D AMINE AND AMIDE DERIVATIVES RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC. (US) 1996-10-02 — — EP disclosed
WO-1995025718-A1 VITAMIN-D AMIDE DERIVATIVES HOLMES, MICHAEL, JOHN (GB) 1995-09-28 — — WO disclosed
WO-1995016672-A1 VITAMIN D AMINE AND AMIDE DERIVATIVES HOLMES, MICHAEL, JOHN (GB) 1995-06-22 — — WO disclosed
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