SCHEMBL12201775

SCHEMBL12201775

CC(=O)/C(C)=C/C(C(C)C)N(C)C(=O)C(NC(=O)C1CCCCN1C1CCC1)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.48
CNR2 P34972 7/20 0.36
CNR1 P21554 5/20 0.36
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
SCHEMBL58400 0.93 TUBB1 (0.56) TUBB1CNR2CNR1STAT6
SCHEMBL13682114 0.93 TUBB1 (0.56) TUBB1CNR2CNR1STAT6
SCHEMBL59244 0.92 TUBB1 (0.57) TUBB1CNR2CNR1
SCHEMBL13682113 0.92 TUBB1 (0.57) TUBB1CNR2CNR1
SCHEMBL13682200 0.91 TUBB1 (0.58) TUBB1CNR2CNR1STAT6
SCHEMBL58612 0.91 TUBB1 (0.58) TUBB1CNR2CNR1STAT6
SCHEMBL13682115 0.90 TUBB1 (0.57) TUBB1CNR2CNR1STAT6
SCHEMBL59464 0.90 TUBB1 (0.57) TUBB1CNR2CNR1STAT6
SCHEMBL59440 0.89 TUBB1 (0.44) TUBB1CNR2CNR1
SCHEMBL13682108 0.89 TUBB1 (0.44) TUBB1CNR2CNR1

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
EP-2374454-A1 Hemiasterlin derivatives and uses thereof in the treatment of cancer Eisai R&D Management Co., Ltd. (JP) 2011-10-12 EP disclosed