SCHEMBL20732247

SCHEMBL20732247

C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](N)C(C)(C)N)C(C)(C)C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.59
▸ PDF Q9HBH1 2/20 0.32
▸ DPP4 P27487 2/20 0.31

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
SCHEMBL57601 0.93 TUBB1 (0.61) TUBB1PDFDPP4
SCHEMBL27400344 0.84 TUBB1 (0.51) TUBB1PDFDPP4
SCHEMBL88548 0.84 TUBB1 (0.74) TUBB1PDF
SCHEMBL13660108 0.84 TUBB1 (0.74) TUBB1PDF
SCHEMBL58085 0.84 TUBB1 (0.74) TUBB1PDF
SCHEMBL6673500 0.84 TUBB1 (0.64) TUBB1
SCHEMBL6674144 0.84 TUBB1 (0.64) TUBB1
SCHEMBL15434851 0.83 TUBB1 (0.67) TUBB1PDF
SCHEMBL26606699 0.83 TUBB1 (0.61) TUBB1PDF
SCHEMBL20738967 0.83 TUBB1 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666788-A1 HEMIASTERLIN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES INCLUDING SAME Sumitomo Dainippon Pharma Co., Ltd. (JP) 2020-06-17 — — EP disclosed
WO-2019031614-A1 ANTIBODY-DRUG CONJUGATES INCLUDING HEMIASTERLIN DERIVATIVE 大日本住友製薬株式会社 2019-02-14 — — WO disclosed
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