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SCHEMBL6688291

SCHEMBL6688291

C=CC[C@@H](C=C(C)C(=O)OCC)N(C)C(=O)C(NC(=O)C(N(C)C(=O)OC(C)(C)C)C(C)(C)c1ccccc1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.37
▸ USP2 O75604 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL6688285 1.00 TUBB1 (0.37) TUBB1USP2NPSR1
SCHEMBL6672740 0.91 TUBB1 (0.44) TUBB1USP2NPSR1
SCHEMBL6672739 0.91 TUBB1 (0.44) TUBB1USP2NPSR1
SCHEMBL6806060 0.91 TUBB1 (0.44) TUBB1USP2NPSR1
SCHEMBL6670110 0.91 TUBB1 (0.44) TUBB1USP2NPSR1
SCHEMBL6806057 0.91 TUBB1 (0.44) TUBB1USP2NPSR1
SCHEMBL6675866 0.91 TUBB1 (0.38) TUBB1
SCHEMBL6675857 0.91 TUBB1 (0.38) TUBB1
SCHEMBL6675861 0.91 TUBB1 (0.38) TUBB1
SCHEMBL6801716 0.89 TUBB1 (0.37) TUBB1

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
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 — — WO disclosed
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