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SCHEMBL22100951

SCHEMBL22100951

CN[C@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)N(C)[C@H](/C=C(\C)C(=O)NC(CC(=O)NCCN1C(=O)C=CC1=O)C(=O)O)C(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.43
▸ AKT1 P31749 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
SCHEMBL20732386 0.93 TUBB1 (0.51) TUBB1AKT1
SCHEMBL22309231 0.93 TUBB1 (0.51) TUBB1AKT1
SCHEMBL20732391 0.93 TUBB1 (0.51) TUBB1AKT1
SCHEMBL22309301 0.93 TUBB1 (0.51) TUBB1AKT1
SCHEMBL24410045 0.86 TUBB1 (0.50) TUBB1AKT1
SCHEMBL22308042 0.86 TUBB1 (0.50) TUBB1AKT1
SCHEMBL24410030 0.86 TUBB1 (0.50) TUBB1AKT1
SCHEMBL20732387 0.86 TUBB1 (0.50) TUBB1AKT1
SCHEMBL24574707 0.86 TUBB1 (0.52) TUBB1AKT1
SCHEMBL24409907 0.85 TUBB1 (0.49) 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-3666787-A1 ANTIBODY-DRUG CONJUGATES INCLUDING HEMIASTERLIN DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2020-06-17 — — EP disclosed
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