SCHEMBL12201724

SCHEMBL12201724

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)C(NC(=O)C(C)(CC(C)C)NC)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.41
MMP8 P22894 1/20 0.33

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
SCHEMBL58695 1.00 TUBB1 (0.41) TUBB1MMP8
SCHEMBL12202681 0.92 TUBB1 (0.43) TUBB1
SCHEMBL58270 0.89 TUBB1 (0.42) TUBB1
SCHEMBL59066 0.89 TUBB1 (0.43) TUBB1
SCHEMBL58385 0.88 TUBB1 (0.39) TUBB1MMP8
SCHEMBL14210203 0.87 TUBB1 (0.42) TUBB1
SCHEMBL58544 0.87 TUBB1 (0.42) TUBB1
SCHEMBL59150 0.86 TUBB1 (0.39) TUBB1
SCHEMBL59235 0.86 TUBB1 (0.54) TUBB1
SCHEMBL58996 0.85 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