SCHEMBL89182

SCHEMBL89182

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

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.52

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
SCHEMBL59174 1.00 TUBB1 (0.52) TUBB1
SCHEMBL58895 0.88 TUBB1 (0.41) TUBB1
SCHEMBL58679 0.87 TUBB1 (0.54) TUBB1
SCHEMBL58920 0.83 TUBB1 (0.53) TUBB1
SCHEMBL57850 0.82 TUBB1 (0.58) TUBB1
SCHEMBL14210437 0.81 TUBB1 (0.38) TUBB1
SCHEMBL58144 0.80 TUBB1 (0.56) TUBB1
SCHEMBL58200 0.79 TUBB1 (0.58) TUBB1
SCHEMBL14210151 0.79 TUBB1 (0.53) TUBB1
SCHEMBL57439 0.79 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