SCHEMBL12201898

SCHEMBL12201898

C=C(O)/C(C)=C/C(C(C)C)N(C)C(=O)C(NC(=O)C(CC)(CC)NCCC)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.40

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
SCHEMBL60068 0.93 TUBB1 (0.47) TUBB1
SCHEMBL59074 0.92 TUBB1 (0.45) TUBB1
SCHEMBL90298 0.92 TUBB1 (0.45) TUBB1
SCHEMBL58419 0.88 TUBB1 (0.37) TUBB1
SCHEMBL60084 0.87 TUBB1 (0.35) TUBB1
SCHEMBL12202542 0.83 TUBB1 (0.40) TUBB1
SCHEMBL60024 0.82 TUBB1 (0.48) TUBB1
SCHEMBL59892 0.81 TUBB1 (0.47) TUBB1
SCHEMBL90537 0.81 TUBB1 (0.47) TUBB1
SCHEMBL58408 0.80 TUBB1 (0.47) 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