SCHEMBL6672639

SCHEMBL6672639

CCCCCC(C)(C)[C@@H](NC)C(=O)N[C@H](C(=O)N(C)[C@H](C=C(C)C(=O)OCC)C(C)C)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.49
PDF Q9HBH1 4/20 0.34
MMP2 P08253 5/20 0.30
MMP3 P08254 5/20 0.30
MMP1 P03956 3/20 0.30
MMP7 P09237 1/20 0.30

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
SCHEMBL6672632 1.00 TUBB1 (0.49) TUBB1PDFMMP2MMP3MMP1
SCHEMBL6672636 1.00 TUBB1 (0.49) TUBB1PDFMMP2MMP3MMP1
SCHEMBL6806519 1.00 TUBB1 (0.49) TUBB1PDFMMP2MMP3MMP1
SCHEMBL6675943 0.89 TUBB1 (0.61) TUBB1PDFMMP2MMP3MMP1
SCHEMBL6670942 0.89 TUBB1 (0.61) TUBB1PDFMMP2MMP3MMP1
SCHEMBL6675933 0.89 TUBB1 (0.61) TUBB1PDFMMP2MMP3MMP1
SCHEMBL6670957 0.89 TUBB1 (0.61) TUBB1PDFMMP2MMP3MMP1
SCHEMBL4369874 0.86 TUBB1 (0.53) TUBB1PDF
SCHEMBL15434849 0.84 TUBB1 (0.50) TUBB1PDF
SCHEMBL88602 0.84 TUBB1 (0.47) 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
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO disclosed