SCHEMBL7078822

SCHEMBL7078822

C=CCCC(=O)NC(CC(C)C)C(=O)OCC#N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
CTSL P07711 6/20 0.35
CTSS P25774 5/20 0.35
CTSK P43235 4/20 0.35
CTSB P07858 3/20 0.35
FOLH1 Q04609 1/20 0.34
BIRC2 Q13490 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MME P08473 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
TYR P14679 1/20 0.31

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
SCHEMBL7078824 1.00 TAS1R3 (0.36) TAS1R3TAS1R1CTSLCTSSCTSK
SCHEMBL23157270 0.88
SCHEMBL21838054 0.84 ALDH1A1 (0.32)
SCHEMBL21838055 0.84 ALDH1A1 (0.32)
SCHEMBL15083299 0.83 ALDH1A1 (0.38)
SCHEMBL21837807 0.83 TDP1 (0.38)
SCHEMBL21837804 0.83 TDP1 (0.38)
SCHEMBL21838043 0.83
SCHEMBL21837916 0.83
SCHEMBL21837917 0.83

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-2003059926-A2 METHODS AND COMPOSITIONS FOR AMINOACYL-tRNA SYNTHESIS UNIVERSITY OF MASSACHUSETTS (US) 2003-07-24 WO disclosed