SCHEMBL40642

SCHEMBL40642

CCC(C)C(=O)NC1CCC(=O)N(CCc2ccccc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 11/20 0.60
MME P08473 4/20 0.51
ACE P12821 4/20 0.51
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.47
MMP2 P08253 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL18870010 0.78 ALDH1A1 (0.51) XIAPALDH1A1GAA
SCHEMBL15427490 0.75 XIAP (1.00) XIAP
SCHEMBL17323417 0.75 XIAP (1.00) XIAP
Hydrochloric Acid SCHEMBL15414151 0.74 XIAP (1.00) XIAP
Hydrochloric Acid SCHEMBL15414153 0.74 XIAP (1.00) XIAP
Hydrochloric Acid SCHEMBL15414152 0.74 XIAP (1.00) XIAP
SCHEMBL15427493 0.69 XIAP (1.00) XIAP
SCHEMBL17323418 0.69 XIAP (1.00) XIAP
SCHEMBL19835086 0.69 XIAP (1.00) XIAP
Hydrochloric Acid SCHEMBL15414697 0.69 XIAP (0.98) XIAP

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
WO-2012002913-A1 PROCESS OF FORMING A CYCLIC IMIDE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 WO disclosed