SCHEMBL15434889

SCHEMBL15434889

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c1ccccc1)C(C)OC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.55
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
STAT6 P42226 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
SCHEMBL6799547 1.00 TUBB1 (0.55) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL58942 1.00 TUBB1 (0.55) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL14568135 1.00 TUBB1 (0.55) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL6805243 0.92 TUBB1 (0.55) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL13848319 0.90 TUBB1 (0.68) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL15434886 0.90 TUBB1 (0.68) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL6806074 0.90 TUBB1 (0.68) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL58351 0.90 TUBB1 (0.68) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL13682076 0.89 TUBB1 (0.67) TUBB1CTSLCTSBCTSSCTSK
SCHEMBL57410 0.89 TUBB1 (0.67) TUBB1CTSLCTSBCTSSCTSK

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-8633224-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI CO., LTD. (JP) 2014-01-21 US disclosed