SCHEMBL12202139

SCHEMBL12202139

C=C(NC(C(=O)N(C)C(/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)NC

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.57

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
SCHEMBL58200 0.89 TUBB1 (0.58) TUBB1
SCHEMBL20822463 0.83 TUBB1 (0.65) TUBB1
SCHEMBL13660108 0.82 TUBB1 (0.74) TUBB1
SCHEMBL88548 0.82 TUBB1 (0.74) TUBB1
SCHEMBL58085 0.82 TUBB1 (0.74) TUBB1
SCHEMBL57850 0.82 TUBB1 (0.58) TUBB1
SCHEMBL15434851 0.81 TUBB1 (0.67) TUBB1
SCHEMBL14567801 0.81 TUBB1 (0.66) TUBB1
SCHEMBL21324689 0.81 TUBB1 (0.57) TUBB1
SCHEMBL13660110 0.81 TUBB1 (0.66) 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