SCHEMBL9554132

SCHEMBL9554132

CC(Br)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
IL6ST P40189 1/20 0.47
NAAA Q02083 1/20 0.44
IDH1 O75874 8/20 0.43
FAAH O00519 1/20 0.41
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
SCD5 Q86SK9 1/20 0.38
AGTR2 P50052 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL13438561 0.90 PPARA (0.49) PPARAIL6STNAAAIDH1FAAH
SCHEMBL5065685 0.90 PPARA (0.49) PPARAIL6STNAAAIDH1FAAH
SCHEMBL21153769 0.90 PPARA (0.49) PPARAIL6STNAAAIDH1FAAH
SCHEMBL5065686 0.90 PPARA (0.49) PPARAIL6STNAAAIDH1FAAH
SCHEMBL14503309 0.89 PPARA (0.58) PPARAIL6STNAAAIDH1FAAH
SCHEMBL12976073 0.88 PPARA (0.47) PPARAIL6STNAAAIDH1FAAH
SCHEMBL12268098 0.88 PPARA (0.51) PPARAIL6STNAAAIDH1FAAH
SCHEMBL24418522 0.87 IL6ST (0.52) PPARAIL6STNAAAIDH1FAAH
SCHEMBL21113600 0.87 PPARA (0.48) PPARAIL6STNAAAIDH1FAAH
SCHEMBL15873519 0.87 PPARA (0.48) PPARAIL6STNAAAIDH1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5231179-A Heterocyclic compounds and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-07-27 US disclosed
EP-0232786-B1 HETEROCYCLIC COMPOUNDS AND THEIR PRODUCTION SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-04-08 EP disclosed
EP-0232786-A1 Heterocyclic compounds and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-08-19 EP disclosed