SCHEMBL8893618

SCHEMBL8893618

CC(C)(C)OC(=O)C(CCC(N)C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.44
SLC7A5 Q01650 1/20 0.44
GRM2 Q14416 2/20 0.43
GRM3 Q14832 2/20 0.43
LTA4H P09960 1/20 0.41
AAK1 Q2M2I8 1/20 0.40

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
SCHEMBL9544124 0.87 GRM2 (0.49) KIF11SLC7A5GRM2GRM3LTA4H
SCHEMBL7319980 0.87 GRM2 (0.49) KIF11SLC7A5GRM2GRM3LTA4H
SCHEMBL28271058 0.82 AAK1 (0.44) AAK1
SCHEMBL2291108 0.82 CTSK (0.44) AAK1
SCHEMBL28022205 0.82 AAK1 (0.44) AAK1
SCHEMBL28124091 0.81 CTSK (0.41) LTA4HAAK1
SCHEMBL17079753 0.81 LTA4H (0.42) KIF11SLC7A5GRM2GRM3LTA4H
Ammonia Solution, Strong SCHEMBL28118901 0.81 AAK1 (0.43) AAK1
SCHEMBL27590205 0.81 AAK1 (0.39) GRM2GRM3LTA4HAAK1
SCHEMBL15268712 0.80 SLC6A2 (0.42) AAK1

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-5663148-A ANTIINFLAMMATORY AGENTS OF OLIGOPEPTIDES FOR BACTERICIDES, FUNGICIDES, ANTICARCINOGENIC AGENTS, VIRICIDES OR AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 1997-09-02 US disclosed
WO-1994007815-A2 SMALL PEPTIDE ANAPHYLATOXIN RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 1994-04-14 WO disclosed