SCHEMBL9052981

SCHEMBL9052981

CC(C)(C)OC(=O)C(N)C(O)C(N)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
LTA4H P09960 3/20 0.45
SLC15A1 P46059 1/20 0.44
LAP3 P28838 3/20 0.44
SLC7A5 Q01650 2/20 0.44
ATM Q13315 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
ANPEP P15144 3/20 0.42
KLK5 Q9Y337 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RNPEP Q9H4A4 1/20 0.42

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
SCHEMBL4730834 0.90 ITGA4 (0.48) ITGA4ITGB7LTA4HSLC15A1LAP3
SCHEMBL11027685 0.87 SLC7A5 (0.46) ITGA4ITGB7LTA4HSLC15A1LAP3
SCHEMBL3927263 0.87 LTA4H (0.58) ITGA4ITGB7LTA4HSLC15A1LAP3
SCHEMBL2848679 0.87 LTA4H (0.58) ITGA4ITGB7LTA4HSLC15A1LAP3
SCHEMBL4659671 0.87 LTA4H (0.58) ITGA4ITGB7LTA4HSLC15A1LAP3
SCHEMBL3915987 0.87 LTA4H (0.58) ITGA4ITGB7LTA4HSLC15A1LAP3
SCHEMBL9833389 0.81 ITGA4 (0.47) ITGA4ITGB7LTA4HSLC7A5ATM
SCHEMBL7813695 0.81 SLC1A1 (0.64) ITGA4ITGB7LTA4HSLC7A5ATM
SCHEMBL15268441 0.81 SLC1A1 (0.64) ITGA4ITGB7LTA4HSLC7A5ATM
SCHEMBL594132 0.80 SLC7A5 (0.58) ITGA4ITGB7LTA4HSLC15A1SLC7A5

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-1996001788-A2 AMINO ACID-DERIVED DIAMINOPROPANOLS PHARM-ECO LABORATORIES, INCORPORATED (US) 1996-01-25 WO disclosed