SCHEMBL3389680

SCHEMBL3389680

O=C(O)C1([N+](=O)[O-])C=CC(c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
ALOX5 P09917 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
KCNA4 P22459 1/20 0.31
KCNA1 Q09470 1/20 0.31
KCNAB1 Q14722 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6903381 0.89 FBP1 (0.33) POLBMAPK1CES2CES1
SCHEMBL31121575 0.89 POLB (0.31) POLBMAPK1CES2CES1
Bicarbonate SCHEMBL21906199 0.81 MAPK1 (0.36) POLBMAPK1ALOX5CES2CES1
SCHEMBL28789053 0.79 ALDH1A1 (0.36) POLBALDH1A1TDP1
SCHEMBL5983434 0.79 CRHBP (0.33) POLBMAPK1CRHBPCRHR2KCNA4
SCHEMBL27687113 0.78 NPSR1 (0.38)
SCHEMBL8655837 0.78 ALDH1A1 (0.35) POLBMAPK1CRHBPCRHR2KCNA4
SCHEMBL9186102 0.78 FBP1 (0.37) POLBALDH1A1TDP1
SCHEMBL29828470 0.78 KCNA4 (0.31) KCNA4KCNA1KCNAB1ALDH1A1TDP1
SCHEMBL28022362 0.77 KCNA4 (0.33) CRHBPCRHR2KCNA4KCNA1KCNAB1

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-1805156-B1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-12-22 EP disclosed
CN-101583352-A Preparation and use of biphenyl amino acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORP (US) 2009-11-18 CN disclosed
CN-101087769-A Preparation and use of biphenyl-4-yl-carbonylamino acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORP (US) 2007-12-12 CN disclosed
EP-0670855-A1 NITRO OR NITROSO GROUP TERMINATED MESOGENIC EPOXY RESIN ADDUCTS THE DOW CHEMICAL COMPANY (US) 1995-09-13 EP disclosed
WO-1994012555-A1 NITRO OR NITROSO GROUP TERMINATED MESOGENIC EPOXY RESIN ADDUCTS THE DOW CHEMICAL COMPANY (US) 1994-06-09 WO disclosed