SCHEMBL90331

SCHEMBL90331

COC/C(C)=C/C(C(C)C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL58272 1.00 AAK1 (0.30) AAK1
SCHEMBL57651 0.85 AAK1 (0.31) AAK1
SCHEMBL90291 0.85 AAK1 (0.31) AAK1
SCHEMBL57627 0.79 TUBB1 (0.33) AAK1
SCHEMBL13446671 0.79
SCHEMBL13681924 0.79
SCHEMBL12202580 0.78 TUBB1 (0.41) AAK1
SCHEMBL4287487 0.78 TUBB1 (0.41) AAK1
SCHEMBL4365675 0.78 TUBB1 (0.41) AAK1
SCHEMBL16861365 0.78 TUBB1 (0.41) AAK1

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