SCHEMBL89008

SCHEMBL89008

CC(=O)N1CCCCC1C(=O)NC(C(=O)N(C)C(/C=C(\C)C(=O)O)C(C)C)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.59
▸ ELANE P08246 5/20 0.38
▸ F2 P00734 1/20 0.34
▸ XIAP P98170 1/20 0.34
▸ CPA1 P15085 1/20 0.34
▸ CPA2 P48052 1/20 0.34
▸ CPA4 Q9UI42 1/20 0.34
▸ STAT6 P42226 4/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ CASP4 P49662 1/20 0.34
▸ CASP5 P51878 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ CASP9 P55211 1/20 0.34
▸ CASP8 Q14790 1/20 0.34
▸ CASP10 Q92851 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
SCHEMBL13681992 1.00 TUBB1 (0.59) TUBB1ELANEF2XIAPCPA1
SCHEMBL58084 1.00 TUBB1 (0.59) TUBB1ELANEF2XIAPCPA1
SCHEMBL22069907 0.91 TUBB1 (0.54) TUBB1ELANE
SCHEMBL22069908 0.91 TUBB1 (0.54) TUBB1ELANE
SCHEMBL20732484 0.91 TUBB1 (0.54) TUBB1ELANE
SCHEMBL14568115 0.90 TUBB1 (0.59) TUBB1ELANESTAT6CASP1CASP4
SCHEMBL16316203 0.90 TUBB1 (0.59) TUBB1ELANESTAT6CASP1CASP4
SCHEMBL14215356 0.90 TUBB1 (0.59) TUBB1ELANESTAT6CASP1CASP4
SCHEMBL14592398 0.90 TUBB1 (0.59) TUBB1ELANESTAT6CASP1CASP4
SCHEMBL14186148 0.90 TUBB1 (0.59) TUBB1ELANESTAT6CASP1CASP4

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
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