SCHEMBL90126

SCHEMBL90126

C/C(=C\C(C(C)C)N(C)C(=O)C(NC(=O)C1CCCCN1C(C)C)C1CCCCC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.46

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
SCHEMBL14592187 1.00 TUBB1 (0.46) TUBB1
SCHEMBL13682216 1.00 TUBB1 (0.46) TUBB1
SCHEMBL58649 1.00 TUBB1 (0.46) TUBB1
SCHEMBL13682217 1.00 TUBB1 (0.46) TUBB1
SCHEMBL59308 1.00 TUBB1 (0.46) TUBB1
SCHEMBL13682218 0.99 TUBB1 (0.44) TUBB1
SCHEMBL15429953 0.99 TUBB1 (0.44) TUBB1
SCHEMBL58651 0.99 TUBB1 (0.44) TUBB1
SCHEMBL16300546 0.99 TUBB1 (0.44) TUBB1
SCHEMBL58657 0.99 TUBB1 (0.44) 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