SCHEMBL5772129

SCHEMBL5772129

CCOC(=O)C(C)Oc1cc(Cl)c(-c2ccc(C(F)(F)F)n(C)c2=O)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
NR5A1 Q13285 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
TNF P01375 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 2/20 0.33
NPC1 O15118 1/20 0.33
THRB P10828 1/20 0.33
CES2 O00748 1/20 0.33
ACHE P22303 1/20 0.33
CES1 P23141 1/20 0.33
PDK1 Q15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL5771977 0.81 MEN1 (0.37) ALDH1A1LMNAMAPTNPC1
SCHEMBL5771916 0.77 HSD11B1 (0.39) ALDH1A1HPGDLMNAMAPTNPSR1
SCHEMBL5777107 0.71 CYP3A4 (0.37) ALDH1A1HPGDLMNAMAPTNPSR1
SCHEMBL10540856 0.70 MEN1 (0.46) PPOXPTGDR2POLBALDH1A1LMNA
SCHEMBL8187289 0.70 PPOX (0.47) PPOXNR5A1ALDH1A1HPGDMAPT
SCHEMBL5770810 0.69 SMN1; SMN2 (0.36) ALDH1A1HPGDLMNAMAPTNPC1
SCHEMBL10614668 0.69 MEN1 (0.61) PPOXPTGDR2POLBALDH1A1HPGD
SCHEMBL16063497 0.68 PPOX (0.41) PPOXNR5A1ALDH1A1HPGDMAPT
SCHEMBL6997005 0.68 ALDH1A1 (0.39) PPOXNR5A1POLBALDH1A1HPGD
SCHEMBL4825168 0.68 RAB9A (0.49) NR5A1ALDH1A1HPGDMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885885-B1 PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-01-04 EP disclosed
US-6472348-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-10-29 US disclosed
US-6265349-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD (JP) 2001-07-24 US disclosed
US-6048823-A Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-04-11 US disclosed
EP-0885885-A1 PYRIDONE DERIVATIVES AND HERBICIDES KumaiI Chemical Industry Co., Ltd. (JP) 1998-12-23 EP disclosed