SCHEMBL6672372

SCHEMBL6672372

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C(=O)[C@H](NC)C(C)(C)c1cccc(C)c1)[C@H](C(=O)NC)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.38
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TP53 P04637 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
SCHEMBL6671200 0.89 TUBB1 (0.37) TUBB1GAAMAPTATMALOX12
SCHEMBL6671859 0.87 TUBB1 (0.44) TUBB1GAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL6674339 0.86 TUBB1 (0.38) TUBB1
SCHEMBL6258931 0.83 TUBB1 (0.34) TUBB1
SCHEMBL6670790 0.81 TUBB1 (0.59) TUBB1LMNAGAAMAPTATM
SCHEMBL6671669 0.81 TUBB1 (0.59) TUBB1LMNAGAAMAPTATM
SCHEMBL6683068 0.76 TUBB1 (0.57) TUBB1LMNAGAAMAPTATM
SCHEMBL6802274 0.76 TUBB1 (0.57) TUBB1LMNAGAAMAPTATM
SCHEMBL6805842 0.76 TUBB1 (0.40) TUBB1MMP1MMP3
SCHEMBL6810332 0.76 TUBB1 (0.58) TUBB1GAAMAPTATMALOX12

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
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