SCHEMBL6688280

SCHEMBL6688280

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

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.39
▸ USP2 O75604 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6806052 0.92 TUBB1 (0.47) TUBB1USP2L3MBTL1
SCHEMBL6672738 0.92 TUBB1 (0.47) TUBB1USP2L3MBTL1
SCHEMBL6675854 0.91 TUBB1 (0.40) TUBB1
SCHEMBL6688285 0.86 TUBB1 (0.37) TUBB1USP2
SCHEMBL6688291 0.86 TUBB1 (0.37) TUBB1USP2
SCHEMBL6671629 0.84 TUBB1 (0.35) TUBB1
SCHEMBL58323 0.80 TUBB1 (0.53) TUBB1
SCHEMBL89154 0.80 TUBB1 (0.53) TUBB1
SCHEMBL14568138 0.80 TUBB1 (0.53) TUBB1
SCHEMBL6671759 0.79 TUBB1 (0.51) 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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