SCHEMBL13682113

SCHEMBL13682113

C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C1CCCCN1C1CCCC1)C(C)(C)C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.57
CNR2 P34972 11/20 0.36
CNR1 P21554 7/20 0.36
ELANE P08246 1/20 0.32
OPRK1 P41145 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
SCHEMBL59244 1.00 TUBB1 (0.57) TUBB1CNR2CNR1ELANEOPRK1
SCHEMBL13682114 0.99 TUBB1 (0.56) TUBB1CNR2CNR1ELANE
SCHEMBL58612 0.99 TUBB1 (0.58) TUBB1CNR2CNR1ELANE
SCHEMBL13682200 0.99 TUBB1 (0.58) TUBB1CNR2CNR1ELANE
SCHEMBL58400 0.99 TUBB1 (0.56) TUBB1CNR2CNR1ELANE
SCHEMBL13682115 0.98 TUBB1 (0.57) TUBB1CNR2CNR1ELANEOPRK1
SCHEMBL59464 0.98 TUBB1 (0.57) TUBB1CNR2CNR1ELANEOPRK1
SCHEMBL12201775 0.92 TUBB1 (0.48) TUBB1CNR2CNR1
SCHEMBL18421085 0.88 TUBB1 (0.59) TUBB1ELANE
SCHEMBL14592398 0.88 TUBB1 (0.59) TUBB1ELANE

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 2 patents. 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
US-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 US disclosed