SCHEMBL12202070

SCHEMBL12202070

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

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.33

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
SCHEMBL60019 0.93 TUBB1 (0.41) TUBB1
SCHEMBL12202535 0.89 TUBB1 (0.31) TUBB1
SCHEMBL59790 0.89 TUBB1 (0.31) TUBB1
SCHEMBL90003 0.84 TUBB1 (0.38) TUBB1
SCHEMBL59669 0.84 TUBB1 (0.38) TUBB1
SCHEMBL58974 0.81
SCHEMBL58382 0.80 TUBB1 (0.38) TUBB1
SCHEMBL60095 0.79 TUBB1 (0.43) TUBB1
SCHEMBL59675 0.77
SCHEMBL59655 0.77 TUBB1 (0.53) 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