SCHEMBL88548

SCHEMBL88548

CNC(C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.74
PDF Q9HBH1 7/20 0.34
STAT6 P42226 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
SCHEMBL13660108 1.00 TUBB1 (0.74) TUBB1PDFSTAT6
SCHEMBL58085 1.00 TUBB1 (0.74) TUBB1PDFSTAT6
SCHEMBL24360627 0.94 TUBB1 (0.70) TUBB1PDF
SCHEMBL12201633 0.93 TUBB1 (0.69) TUBB1PDF
SCHEMBL15434851 0.91 TUBB1 (0.67) TUBB1PDF
SCHEMBL27400350 0.91 TUBB1 (0.63) TUBB1PDF
SCHEMBL20822463 0.91 TUBB1 (0.65) TUBB1
SCHEMBL14567801 0.90 TUBB1 (0.66) TUBB1PDF
SCHEMBL13660110 0.90 TUBB1 (0.66) TUBB1PDF
SCHEMBL58040 0.90 TUBB1 (0.66) TUBB1PDF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633224-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI CO., LTD. (JP) 2014-01-21 US disclosed
US-8633224-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI CO., LTD. (JP) 2014-01-21 US disclosed