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SCHEMBL8274191

SCHEMBL8274191

CCOP(=O)(OCC)[C@H]1C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)C[C@H]1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ ITGB3 P05106 10/20 0.33
▸ ITGA2B P08514 10/20 0.33
▸ HDAC4 P56524 2/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.31
▸ CTSK P43235 1/20 0.30

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
SCHEMBL7941871 0.85 HDAC1 (0.35) HDAC1HDAC8ITGB3ITGA2BHDAC4
SCHEMBL6124828 0.85 HDAC1 (0.35) HDAC1HDAC8ITGB3ITGA2BHDAC4
SCHEMBL13071444 0.84 ITGB3 (0.37) HDAC1HDAC8ITGB3ITGA2BHDAC4
SCHEMBL13071545 0.81 HDAC1 (0.39) HDAC1HDAC8ITGB3ITGA2BHDAC4
SCHEMBL12676516 0.81 ELANE (0.34) ITGB3ITGA2B
SCHEMBL8273133 0.80 HDAC1 (0.41) HDAC1HDAC8ITGB3ITGA2BHDAC4
SCHEMBL6124800 0.79 HDAC1 (0.36) HDAC1HDAC8ITGB3ITGA2BHDAC4
SCHEMBL10166392 0.79 HDAC1 (0.35) HDAC1HDAC8ITGB3ITGA2BHDAC4
SCHEMBL8273135 0.78 MAPT (0.35) —
SCHEMBL6124752 0.77 HDAC1 (0.36) HDAC1HDAC8ITGB3ITGA2BHDAC4

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-1778702-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2011-07-13 — — EP disclosed
WO-2006020276-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-02-23 — — WO disclosed