SCHEMBL14567982

SCHEMBL14567982

CNC(C(=O)N[C@H](C(=O)N(C)[C@H](CN(C)CC(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.53
ADAM17 P78536 5/20 0.33
MMP1 P03956 4/20 0.33
STAT6 P42226 2/20 0.33
MMP2 P08253 9/20 0.32
MMP3 P08254 6/20 0.32
TNF P01375 1/20 0.32

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
SCHEMBL58864 1.00 TUBB1 (0.53) TUBB1ADAM17MMP1STAT6MMP2
SCHEMBL58880 0.94 TUBB1 (0.49) TUBB1ADAM17MMP1STAT6MMP2
SCHEMBL14568102 0.94 TUBB1 (0.49) TUBB1ADAM17MMP1STAT6MMP2
SCHEMBL58742 0.91 TUBB1 (0.51) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL14186790 0.91 TUBB1 (0.51) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL14567985 0.91 TUBB1 (0.51) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL58061 0.90 TUBB1 (0.53) TUBB1ADAM17MMP1STAT6MMP2
SCHEMBL13848002 0.90 TUBB1 (0.53) TUBB1ADAM17MMP1STAT6MMP2
SCHEMBL58668 0.87 TUBB1 (0.47) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL13682075 0.87 TUBB1 (0.47) TUBB1ADAM17MMP1MMP2MMP3

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-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 US disclosed