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Sugi Predict / Compounds / SCHEMBL8971029

SCHEMBL8971029

SCHEMBL8971029

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C(=C/C=C3/CC(O)(O)CC[C@@H]3C)CCC[C@]12C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 2/20 0.54
▸ CDC25B P30305 1/20 0.53
▸ VDR P11473 8/20 0.53
▸ HDAC3 O15379 3/20 0.53
▸ HDAC6 Q9UBN7 3/20 0.53
▸ HDAC2 Q92769 2/20 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
SCHEMBL8971279 0.84 VDR (0.57) CDC25ACDC25BVDRHDAC3HDAC6
SCHEMBL3681975 0.81 HDAC6 (0.62) CDC25AVDRHDAC3HDAC6HDAC2
SCHEMBL8610933 0.81 HDAC6 (0.62) CDC25AVDRHDAC3HDAC6HDAC2
SCHEMBL7545052 0.76 VDR (0.56) CDC25AVDR
SCHEMBL3679281 0.76 VDR (0.83) VDR
SCHEMBL7544641 0.75 CDC25A (0.53) CDC25ACDC25BVDRHDAC3HDAC6
SCHEMBL7544638 0.75 CDC25A (0.53) CDC25ACDC25BVDRHDAC3HDAC6
SCHEMBL13532024 0.75 HDAC6 (0.81) VDRHDAC3HDAC6HDAC2
SCHEMBL15803031 0.74 CDC25A (0.66) CDC25ACDC25BVDRHDAC3HDAC6
SCHEMBL17302251 0.74 CDC25A (0.66) CDC25ACDC25BVDRHDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696275-A1 VITAMIN D AMIDE DERIVATIVES RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY (US) 1996-02-14 — — EP disclosed
WO-1994026707-A1 VITAMIN D AMIDE DERIVATIVES HOLMES, MICHAEL, JOHN (GB) 1994-11-24 — — WO disclosed