SCHEMBL89323

SCHEMBL89323

CCCC(CCC)(NC)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 2)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.52
PDF Q9HBH1 1/20 0.32

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
SCHEMBL59050 1.00 TUBB1 (0.52) TUBB1PDF
SCHEMBL14210202 0.91 TUBB1 (0.54) TUBB1PDF
SCHEMBL58626 0.91 TUBB1 (0.54) TUBB1PDF
SCHEMBL58912 0.88 TUBB1 (0.42) TUBB1
SCHEMBL59232 0.88 TUBB1 (0.41) TUBB1
SCHEMBL58392 0.85 TUBB1 (0.51) TUBB1
SCHEMBL58200 0.84 TUBB1 (0.58) TUBB1
SCHEMBL59655 0.83 TUBB1 (0.53) TUBB1PDF
SCHEMBL58284 0.83 TUBB1 (0.51) TUBB1PDF
SCHEMBL57850 0.82 TUBB1 (0.58) TUBB1PDF

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