SCHEMBL89154

SCHEMBL89154

CCOC(=O)/C(C)=C/[C@H](CC)N(C)C(=O)C(NC(=O)C(NC)C(C)(C)c1ccccc1)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.53
MMP2 P08253 10/20 0.32
MMP3 P08254 9/20 0.32
STAT6 P42226 3/20 0.32
POLB P06746 1/20 0.31
MMP1 P03956 3/20 0.31
TNF P01375 1/20 0.31
ADAM17 P78536 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL14568138 1.00 TUBB1 (0.53) TUBB1MMP2MMP3STAT6POLB
SCHEMBL58323 1.00 TUBB1 (0.53) TUBB1MMP2MMP3STAT6POLB
SCHEMBL6671759 0.93 TUBB1 (0.51) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL6671761 0.93 TUBB1 (0.51) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL6671755 0.93 TUBB1 (0.51) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL58218 0.93 TUBB1 (0.51) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL13682030 0.90 TUBB1 (0.56) TUBB1MMP2MMP3STAT6POLB
SCHEMBL58781 0.90 TUBB1 (0.56) TUBB1MMP2MMP3STAT6POLB
SCHEMBL13848318 0.90 TUBB1 (0.61) TUBB1MMP2MMP3STAT6MMP1
SCHEMBL58029 0.90 TUBB1 (0.61) TUBB1MMP2MMP3STAT6MMP1

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
EP-2374454-A1 Hemiasterlin derivatives and uses thereof in the treatment of cancer Eisai R&D Management Co., Ltd. (JP) 2011-10-12 EP disclosed