SCHEMBL8007307

SCHEMBL8007307

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.43
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARA Q07869 4/20 0.40
IDH1 O75874 3/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
NAMPT P43490 2/20 0.38
HDAC1 Q13547 2/20 0.38
IL6ST P40189 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL8674159 1.00 NAAA (0.43) NAAAFAAHALDH1A1PPARAIDH1
SCHEMBL6454677 0.90 NAAA (0.46) NAAAFAAHALDH1A1PPARAIDH1
SCHEMBL5022256 0.90 NAAA (0.46) NAAAFAAHALDH1A1PPARAIDH1
SCHEMBL6442419 0.89 ALDH1A1 (0.46) NAAAFAAHALDH1A1PPARAIDH1
SCHEMBL5558778 0.89 ALDH1A1 (0.46) NAAAFAAHALDH1A1PPARAIDH1
SCHEMBL27009026 0.88 FAAH (0.49) NAAAFAAHALDH1A1PPARAIDH1
SCHEMBL27009889 0.88 FAAH (0.49) NAAAFAAHALDH1A1PPARAIDH1
SCHEMBL1750169 0.88 ALDH1A1 (0.55) NAAAFAAHALDH1A1PPARAIDH1
SCHEMBL1750168 0.88 ALDH1A1 (0.55) NAAAFAAHALDH1A1PPARAIDH1
SCHEMBL19231325 0.87 ALDH1A1 (0.47) NAAAFAAHALDH1A1PPARAIDH1

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-6166049-A Use of an antagonist of PPARα and PPARγ for the treatment of syndrome X SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-26 US disclosed
EP-0772605-A1 BENZOXAZOLES AND PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF THE TYPE II DIABETES SMITHKLINE BEECHAM PLC (GB) 1997-05-14 EP disclosed
WO-1996004260-A1 BENZOXAZOLES AND PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF THE TYPE II DIABETES SMITHKLINE BEECHAM PLC (GB) 1996-02-15 WO disclosed