SCHEMBL16350352

SCHEMBL16350352

C=C(N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C1CCCN(C)C1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.55

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
SCHEMBL58451 0.90 TUBB1 (0.56) TUBB1
SCHEMBL16350324 0.83 TUBB1 (0.55) TUBB1
SCHEMBL58045 0.83 TUBB1 (0.56) TUBB1
SCHEMBL10175741 0.80 TUBB1 (0.45) TUBB1
SCHEMBL58036 0.80 TUBB1 (0.45) TUBB1
SCHEMBL58962 0.79 TUBB1 (0.68) TUBB1
SCHEMBL16171261 0.79 TUBB1 (0.60) TUBB1
SCHEMBL58971 0.78 TUBB1 (0.52) TUBB1
SCHEMBL4378540 0.78 TUBB1 (0.58) TUBB1
SCHEMBL58037 0.78 TUBB1 (0.58) 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
US-7585976-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2009-09-08 US disclosed