SCHEMBL28964304

SCHEMBL28964304

CCOC(=O)/C(C)=C/C(C(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](NC)C(C)(C)c1cccc(N)c1)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.57
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17992665 1.00 TUBB1 (0.57) TUBB1GAAMAPTALOX12ATM
SCHEMBL30717922 1.00 TUBB1 (0.57) TUBB1GAAMAPTALOX12ATM
SCHEMBL28807305 1.00 TUBB1 (0.57) TUBB1GAAMAPTALOX12ATM
SCHEMBL29779859 1.00 TUBB1 (0.57) TUBB1GAAMAPTALOX12ATM
SCHEMBL6670790 0.93 TUBB1 (0.59) TUBB1GAAMAPTALOX12ATM
SCHEMBL6671669 0.93 TUBB1 (0.59) TUBB1GAAMAPTALOX12ATM
SCHEMBL6810332 0.92 TUBB1 (0.58) TUBB1GAAMAPTALOX12ATM
SCHEMBL6810329 0.92 TUBB1 (0.58) TUBB1GAAMAPTALOX12ATM
SCHEMBL17992656 0.92 TUBB1 (0.62) TUBB1
SCHEMBL6805837 0.91 TUBB1 (0.57) TUBB1GAAMAPTALOX12ATM

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
CN-114716506-A Hemiasterlin derivatives for conjugation and therapy 苏特罗生物制药公司 2022-07-08 CN disclosed