SCHEMBL6687963

SCHEMBL6687963

N=C(N)N(C(=O)O)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.34
EPHX1 P07099 1/20 0.34
ALOX5 P09917 3/20 0.34
AGER Q15109 3/20 0.33
MTNR1A P48039 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ADH1A P07327 2/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
FDPS P14324 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL3069635 0.85 ALOX5 (0.39) NOS2EPHX1ALOX5ADH1AADH1C
SCHEMBL27971230 0.84 NOS2 (0.42) NOS2EPHX1ALOX5ADH1AADH1C
SCHEMBL1957147 0.83 ALOX5 (0.41) EPHX1ALOX5ALDH1A1ADH1AADH1B
SCHEMBL472875 0.82 CES2 (0.39) EPHX1ALDH1A1ADH1AADH1BADH1C
SCHEMBL3073114 0.76 EPHX1 (0.44) EPHX1ALDH1A1
SCHEMBL28252899 0.76 ALOX5 (0.41) EPHX1ALOX5ALDH1A1L3MBTL1ADH1A
SCHEMBL6827765 0.75 ALOX5 (0.45) EPHX1ALOX5ADH1AADH1CFDPS
SCHEMBL3074753 0.75 PHGDH (0.44) NOS2EPHX1ALOX5ALDH1A1ADH1A
SCHEMBL7079485 0.74 PHGDH (0.40) ALDH1A1ADH1AADH1BADH1CFDPS
Hydrochloric Acid SCHEMBL11687151 0.72 ALDH1A1 (0.37) ALDH1A1L3MBTL1ADH1AADH1BADH1C

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
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed