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SCHEMBL6673935

SCHEMBL6673935

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.62
▸ PRCP P42785 5/20 0.35
▸ STAT6 P42226 2/20 0.34
▸ MMP2 P08253 6/20 0.34
▸ MMP3 P08254 4/20 0.34
▸ ADAM17 P78536 4/20 0.34
▸ MMP1 P03956 2/20 0.34
▸ TNF P01375 1/20 0.34
▸ MME P08473 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL6673008 1.00 TUBB1 (0.62) TUBB1PRCPSTAT6MMP2MMP3
SCHEMBL6806372 1.00 TUBB1 (0.62) TUBB1PRCPSTAT6MMP2MMP3
SCHEMBL6675645 1.00 TUBB1 (0.62) TUBB1PRCPSTAT6MMP2MMP3
Trifluoroacetic Acid SCHEMBL6805284 0.95 TUBB1 (0.58) TUBB1PRCPSTAT6MMP2MMP3
SCHEMBL58680 0.92 TUBB1 (0.60) TUBB1STAT6MMP2MMP3ADAM17
SCHEMBL4368706 0.88 TUBB1 (0.62) TUBB1STAT6MMP2MMP3ADAM17
SCHEMBL4368695 0.88 TUBB1 (0.62) TUBB1STAT6MMP2MMP3ADAM17
SCHEMBL6805286 0.86 TUBB1 (0.51) TUBB1PRCPSTAT6
SCHEMBL13660110 0.86 TUBB1 (0.66) TUBB1
SCHEMBL14567801 0.86 TUBB1 (0.66) 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 claimed