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SCHEMBL13682374

SCHEMBL13682374

CCOC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C1CCCCN1C(C)C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.38
▸ FKBP1A P62942 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ACE P12821 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ELANE P08246 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
SCHEMBL14591461 1.00 TUBB1 (0.38) TUBB1FKBP1ALMNAACESMN1; SMN2
SCHEMBL13848704 1.00 TUBB1 (0.38) TUBB1FKBP1ALMNAACESMN1; SMN2
SCHEMBL17734007 1.00 TUBB1 (0.38) TUBB1FKBP1ALMNAACESMN1; SMN2
SCHEMBL58921 1.00 TUBB1 (0.38) TUBB1FKBP1ALMNAACESMN1; SMN2
SCHEMBL59703 0.94 TUBB1 (0.39) TUBB1
SCHEMBL13682371 0.94 TUBB1 (0.39) TUBB1
SCHEMBL16169550 0.93 TUBB1 (0.40) TUBB1FKBP1ALMNAACESMN1; SMN2
SCHEMBL15434924 0.92 TUBB1 (0.39) TUBB1FKBP1ALMNAACESMN1; SMN2
SCHEMBL15430021 0.88 TUBB1 (0.41) TUBB1FKBP1AELANE
SCHEMBL15435022 0.87 TUBB1 (0.40) 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
US-7585976-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2009-09-08 — — US disclosed
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