SCHEMBL12202012

SCHEMBL12202012

CCOC(=O)/C(C)=C/C(C(C)C)N(C)C(=O)C(NCO)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.39

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
SCHEMBL88602 0.88 TUBB1 (0.47) TUBB1
SCHEMBL90776 0.87 TUBB1 (0.44) TUBB1
SCHEMBL14233111 0.87 TUBB1 (0.40) TUBB1
SCHEMBL14210660 0.87 TUBB1 (0.40) TUBB1
SCHEMBL12203106 0.87 TUBB1 (0.44) TUBB1
SCHEMBL58210 0.85 TUBB1 (0.43) TUBB1
SCHEMBL14567895 0.84 TUBB1 (0.43) TUBB1
SCHEMBL22692394 0.84 TUBB1 (0.42) TUBB1
SCHEMBL22692400 0.84 TUBB1 (0.38) TUBB1
SCHEMBL58031 0.83 TUBB1 (0.42) 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