SCHEMBL24115149

SCHEMBL24115149

C=C(CCC(NC(=O)/C(C)=C/CN(C)C(=O)C(NC(=O)C(NC)C(C)(C)C1CCCCC1)C(C)(C)C)C(=O)OC(C)(C)C)NCCN1C(=O)C=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.39
▸ AKT1 P31749 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
SCHEMBL22309058 0.94 TUBB1 (0.40) TUBB1AKT1
SCHEMBL22309078 0.86 TUBB1 (0.43) TUBB1
SCHEMBL20732428 0.83 TUBB1 (0.54) TUBB1AKT1
SCHEMBL24410027 0.83 TUBB1 (0.54) TUBB1AKT1
SCHEMBL22307928 0.81 AKT1 (0.33) TUBB1AKT1
SCHEMBL22309199 0.80 TUBB1 (0.37) TUBB1AKT1
SCHEMBL22309065 0.78 AKT1 (0.34) AKT1
SCHEMBL22111348 0.78 TUBB1 (0.49) TUBB1
SCHEMBL22309211 0.77 AKT1 (0.34) TUBB1AKT1
SCHEMBL22309273 0.77 AKT1 (0.34) TUBB1AKT1

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-3925668-A1 HEMIASTERLIN DERIVATIVE HAVING CYSTEINE RESIDUE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2021-12-22 — — EP disclosed
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