SCHEMBL7342695

SCHEMBL7342695

CC(C)(C)OC(=O)Nc1cccc(COc2ccc(C[C@H](N)C(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.55
▸ SIRT2 Q8IXJ6 2/20 0.54
▸ AURKA O14965 2/20 0.44
▸ RPS6KB1 P23443 2/20 0.44
▸ HDAC8 Q9BY41 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.43
▸ ADAMTS4 O75173 1/20 0.43
▸ LNPEP Q9UIQ6 3/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7342701 1.00 LTA4H (0.55) LTA4HSIRT2AURKARPS6KB1HDAC8
SCHEMBL2367419 0.82 SLC7A5 (0.50) LTA4HSIRT2AURKARPS6KB1HDAC8
SCHEMBL7338844 0.82 LTA4H (0.65) LTA4HLNPEP
SCHEMBL7338836 0.82 LTA4H (0.65) LTA4HLNPEP
SCHEMBL7339057 0.82 LTA4H (0.65) LTA4HLNPEP
SCHEMBL15890597 0.81 CYP17A1 (0.52) LTA4HAURKARPS6KB1
SCHEMBL12533268 0.81 SIRT2 (0.60) LTA4HSIRT2ADAMTS4PTPN1PDK1
SCHEMBL20132198 0.80 SIRT2 (0.59) LTA4HSIRT2AURKARPS6KB1HDAC8
SCHEMBL2367233 0.79 SLC7A5 (0.64) AURKARPS6KB1
SCHEMBL3050840 0.79 SLC7A5 (0.64) AURKARPS6KB1

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-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 — — US disclosed
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