SCHEMBL7265609

SCHEMBL7265609

CC(C)(C)OC(=O)N(CCCC[C@H](N)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
LTA4H P09960 1/20 0.41
SLC7A5 Q01650 1/20 0.41
SLC1A5 Q15758 2/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A1 P43005 1/20 0.40
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL6359011 0.91 SLC1A1 (0.46) LTA4HSLC7A5SLC1A5SLC1A3SLC1A1
SCHEMBL17607024 0.84 GSR (0.44) SLC1A1
SCHEMBL2419347 0.84 GSR (0.44) SLC1A1
SCHEMBL7296919 0.83 LTA4H (0.38) L3MBTL1LTA4HSLC7A5SLC1A5SLC1A3
SCHEMBL6669091 0.83 ALPI (0.42) LTA4HSLC7A5SLC1A3SLC1A1CCR6
SCHEMBL10598042 0.82 HTR2A (0.41) L3MBTL1LTA4H
SCHEMBL30727542 0.81 EPOR (0.38) L3MBTL1LTA4H
SCHEMBL7314045 0.81 CTSK (0.43) L3MBTL1CCR6PAX8MAPT
SCHEMBL7313523 0.81 CTSK (0.43) L3MBTL1CCR6PAX8MAPT
SCHEMBL7006434 0.81 MDM2 (0.38)

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
EP-0099286-B1 COMPOUND CONTAINING A TRIPEPTIDE SEQUENCE OF THE THREONYL-LYSYL PROLINE-TYPE, OR SIMILAR, USEFUL AS AN ANTI-INFLAMMATORY, ANTI-ALLERGIC OR ANTALGESIC AGENT INSTITUT PASTEUR DE LILLE (FR) 1987-05-20 EP disclosed
EP-0085488-A2 Amino acid derivatives and antihypertensive drugs containing them AJINOMOTO CO., INC. (JP) 1983-08-10 EP disclosed