SCHEMBL13682455

SCHEMBL13682455

CCN(C[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1ccccc1)C(C)(C)C)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.51
MMP2 P08253 14/20 0.35
MMP3 P08254 8/20 0.35
MMP1 P03956 3/20 0.34
ADAM17 P78536 1/20 0.34
STAT6 P42226 2/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 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
SCHEMBL57708 0.91 TUBB1 (0.51) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL13848005 0.91 TUBB1 (0.51) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL13847979 0.90 TUBB1 (0.55) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL58456 0.90 TUBB1 (0.55) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL58061 0.89 TUBB1 (0.53) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL13848002 0.89 TUBB1 (0.53) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL13848945 0.89 TUBB1 (0.49) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL58406 0.89 TUBB1 (0.49) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL58365 0.85 TUBB1 (0.55) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL14186790 0.84 TUBB1 (0.51) TUBB1MMP2MMP3MMP1ADAM17

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