SCHEMBL3946429

SCHEMBL3946429

CC(C)(C)OC(=O)NC(C)(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
PPARA Q07869 4/20 0.43
PPARG P37231 3/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
DRD2 P14416 5/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSL P07711 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
SCHEMBL27159043 1.00 GAA (0.44) GAAPPARAPPARGMAPTMEN1
SCHEMBL26965604 0.87 SSTR4 (0.40) GAAPPARAPPARGCYP2C19POLB
SCHEMBL10884697 0.86 GAA (0.43) GAAPPARAPPARGMAPTMEN1
SCHEMBL26965593 0.86 HTT (0.43) GAAPPARAPPARGCYP2C19NPC1
SCHEMBL19331927 0.86 MIF (0.47) GAAPPARAMEN1KMT2ACYP3A4
SCHEMBL27159397 0.86 PPARA (0.41) GAAPPARAPPARGMAPTMEN1
SCHEMBL4221670 0.86 MIF (0.47) GAAPPARAMEN1KMT2ACYP3A4
SCHEMBL27159394 0.86 PPARA (0.41) GAAPPARAPPARGMAPTMEN1
SCHEMBL25402601 0.85 CTSL (0.48) GAAPPARAPPARGCTSL
SCHEMBL1951666 0.85 CA12 (0.47) GAAPPARAPPARGMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4702033-A1 DESMURAMYLPEPTIDE DIACIDS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2026-03-04 EP disclosed
WO-2024224086-A1 DESMURAMYLPEPTIDE DIACIDS AS NOD2 AGONISTS AND USE THEREOF Imhotex Limited (GB) 2024-10-31 WO disclosed
EP-4332089-A1 METHOD FOR PREPARING AMINO ACIDS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2024-03-06 EP disclosed
EP-2694072-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ABIRATERONE, AND METHODS OF USE Genentech, Inc. (US) 2014-02-12 EP disclosed
WO-2012135759-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND ABIRATERONE, AND METHODS OF USE GENENTECH, INC. (US) 2012-10-04 WO disclosed
EP-2049500-A1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-04-22 EP disclosed
EP-2049501-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma Inc. (US) 2009-04-22 EP disclosed
WO-2008006040-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed
WO-2008006032-A1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed