SCHEMBL14567985

SCHEMBL14567985

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.51
MMP2 P08253 12/20 0.36
MMP3 P08254 5/20 0.36
MMP1 P03956 4/20 0.35
ADAM17 P78536 4/20 0.35
TNF P01375 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL14186790 1.00 TUBB1 (0.51) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL58742 1.00 TUBB1 (0.51) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL58668 0.93 TUBB1 (0.47) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL13682075 0.93 TUBB1 (0.47) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL14567982 0.91 TUBB1 (0.53) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL58864 0.91 TUBB1 (0.53) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL13848005 0.89 TUBB1 (0.51) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL57708 0.89 TUBB1 (0.51) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL88686 0.89 TUBB1 (0.50) TUBB1MMP2MMP3MMP1ADAM17
SCHEMBL13847979 0.88 TUBB1 (0.55) 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-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 US disclosed