SCHEMBL22346161

SCHEMBL22346161

C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@H](NC(=O)[C@H]1CCCCN1C(C)C)C(C)(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.43
▸ CMA1 P23946 1/20 0.34
▸ ACE P12821 2/20 0.30
▸ REN P00797 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
SCHEMBL20739117 1.00 TUBB1 (0.43) TUBB1CMA1ACEREN
SCHEMBL22346164 1.00 TUBB1 (0.43) TUBB1CMA1ACEREN
SCHEMBL22316508 1.00 TUBB1 (0.43) TUBB1CMA1ACEREN
SCHEMBL22069906 0.87 CMA1 (0.41) TUBB1CMA1
SCHEMBL22316484 0.87 TUBB1 (0.40) TUBB1
SCHEMBL22111332 0.87 TUBB1 (0.40) TUBB1
SCHEMBL22309342 0.86 TUBB1 (0.36) TUBB1
SCHEMBL20732462 0.86 TUBB1 (0.36) TUBB1
SCHEMBL13682227 0.85 TUBB1 (0.58) TUBB1
SCHEMBL59693 0.85 TUBB1 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020166613-A1 AGENT FOR ELIMINATING PLURIPOTENT STEM CELLS 大日本住友製薬株式会社 2020-08-20 — — WO disclosed
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