SCHEMBL6674391

SCHEMBL6674391

CNC(=O)[C@@H](N(C(=O)[C@@H](NC)C(C)(C)c1ccsc1)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.47

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
SCHEMBL6674339 0.88 TUBB1 (0.38) TUBB1
SCHEMBL6671952 0.80 TUBB1 (0.71) TUBB1
SCHEMBL6672853 0.80 TUBB1 (0.71) TUBB1
SCHEMBL6805842 0.76 TUBB1 (0.40) TUBB1
SCHEMBL6671859 0.76 TUBB1 (0.44) TUBB1
SCHEMBL6672372 0.73 TUBB1 (0.38) TUBB1
SCHEMBL6260958 0.73 TUBB1 (0.41) TUBB1
SCHEMBL6671200 0.72 TUBB1 (0.37) TUBB1
SCHEMBL8224116 0.72 TUBB1 (0.63) TUBB1
SCHEMBL6288305 0.71 TUBB1 (0.36) 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 claimed
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