SCHEMBL28801696

SCHEMBL28801696

CC(C(=O)O)N(C)C(=O)Cc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.54
SLC6A4 P31645 5/20 0.53
HTR2A P28223 3/20 0.53
SLC6A2 P23975 3/20 0.53
SLC6A3 Q01959 2/20 0.53
SLC1A5 Q15758 2/20 0.52
NPY5R Q15761 3/20 0.47
CHRM1 P11229 1/20 0.43
TSPO P30536 1/20 0.43
CXCL8 P10145 1/20 0.42
PPARG P37231 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL27912315 0.87 SLC6A2 (0.56) PPARASLC6A4SLC6A2SLC6A3SLC1A5
SCHEMBL9995323 0.86 PPARA (0.52) PPARASLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL8471261 0.80 SLC6A4 (0.58) PPARASLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL872624 0.79 SLC6A4 (0.53) PPARASLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL9995320 0.78 SLC6A4 (0.52) PPARASLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL872958 0.78 CXCL8 (0.67) PPARASLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL12361548 0.77 SLC6A4 (0.54) PPARASLC6A4HTR2ASLC6A2SLC6A3
Ammonia Solution, Strong SCHEMBL872909 0.76 CHRM1 (0.65) PPARASLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL13474499 0.76 SLC6A4 (0.53) PPARASLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL966658 0.75 PPARA (0.57) PPARASLC6A4HTR2ASLC6A2SLC6A3

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
CN-102746209-A A synthetic method for 3-(2-(4-chlorophenoxy)phenyl )-1-methyl-2,4-dione SHENGSHI TAIKE BIOLOG MEDICAL TECHNOLOGY SUZHOU CO LTD 2012-10-24 CN disclosed