SCHEMBL27536733

SCHEMBL27536733

CC([N+](=O)[O-])C(C)(C)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.35
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.32
HIF1A Q16665 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
Dichloroacetic Acid SCHEMBL27897648 0.83 LMNA (0.39) ALDH1A1KDM4E
SCHEMBL10950714 0.78 ALDH1A1 (0.41) ALDH1A1TSHRTDP1HPGDHIF1A
SCHEMBL8661349 0.77
SCHEMBL10612741 0.77
SCHEMBL28727379 0.74 ALDH1A1 (0.36) ALDH1A1TSHRTDP1HPGDHIF1A
SCHEMBL29523917 0.72 ALDH1A1 (0.35) ALDH1A1TSHRTDP1HPGDHIF1A
SCHEMBL10899437 0.72
SCHEMBL6131542 0.72
Potassium SCHEMBL29523905 0.72 ALDH1A1 (0.35) ALDH1A1TSHRTDP1HPGDHIF1A
SCHEMBL11413203 0.70 ALDH1A1 (0.33) ALDH1A1KDM4ETSHRTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1978462-B Imidazoline modified amino acid, and its synthesizing method and use for polypeptide marking UNIV CAPITAL MEDICAL 2010-04-21 CN disclosed
CN-1978462-A Imidazoline modified amino acid, and its synthesizing method and use for polypeptide marking SHOUDU MEDICAL UNIV (CN) 2007-06-13 CN disclosed
CN-1231494-C Imidazoline substituted phenoxyacetyl oligopeptide compounds, their synthesis and medical uses YITAI MEDICINE RES SHENZHEN CO (CN) 2005-12-14 CN disclosed
CN-1231495-C Imidazoline substituted phenoxyacetyl oligopeptide compounds, their synthesis and medical uses YITAI MEDICINE RES SHENZHEN CO (CN) 2005-12-14 CN disclosed
CN-1490328-A Imidazoline substituted phenoxyacetyl oligopeptide compounds, their synthesis and medical uses 一泰医药研究(深圳)有限公司 2004-04-21 CN disclosed
CN-1490329-A Imidazoline substituted phenoxyacetyl oligopeptide compounds, their synthesis and medical uses 一泰医药研究(深圳)有限公司 2004-04-21 CN disclosed