SCHEMBL12201369

SCHEMBL12201369

CNC(C(=O)NC(/C=C/C(/C=C(\C)C(C)=O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 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
SCHEMBL89012 0.94 TUBB1 (0.48) TUBB1
SCHEMBL14593274 0.94 TUBB1 (0.48) TUBB1
SCHEMBL57773 0.94 TUBB1 (0.48) TUBB1
SCHEMBL58116 0.94 TUBB1 (0.48) TUBB1
SCHEMBL12201964 0.87 TUBB1 (0.40) TUBB1
SCHEMBL58524 0.87 TUBB1 (0.40) TUBB1
SCHEMBL14233210 0.83 TUBB1 (0.48) TUBB1
SCHEMBL13751422 0.75 TUBB1 (0.72) TUBB1
SCHEMBL4370422 0.75 TUBB1 (0.72) TUBB1
SCHEMBL12202205 0.75 TUBB1 (0.72) 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
EP-2374454-A1 Hemiasterlin derivatives and uses thereof in the treatment of cancer Eisai R&D Management Co., Ltd. (JP) 2011-10-12 — — EP disclosed
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