SCHEMBL6682087

SCHEMBL6682087

Cc1c(C)c([N+](=O)[O-])c([N+](=O)[O-])c2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 3/20 0.54
HPGD P15428 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
BRCA1 P38398 1/20 0.54
HSD17B10 Q99714 1/20 0.54
FTO Q9C0B1 10/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 3/20 0.47
SMAD3 P84022 2/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
PRMT1 Q99873 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 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
SCHEMBL2557451 0.84 ALDH1A1 (0.64) ALOX12HPGDALDH1A1CYP2C9ALOX15
SCHEMBL2322100 0.80 HPGD (0.54) ALOX12HPGDALDH1A1CYP2C9ALOX15
SCHEMBL7970057 0.80 HPGD (0.54) ALOX12HPGDALDH1A1CYP2C9ALOX15
SCHEMBL6726793 0.79 ALDH1A1 (0.58) ALOX12HPGDALDH1A1CYP2C9ALOX15
SCHEMBL16432229 0.79 HPGD (0.58) ALOX12HPGDALDH1A1CYP2C9ALOX15
SCHEMBL2839336 0.78 FTO (0.53) ALOX12HPGDALDH1A1CYP2C9ALOX15
SCHEMBL8386327 0.78 HPGD (0.51) ALOX12HPGDALDH1A1CYP2C9ALOX15
SCHEMBL8518074 0.78 HPGD (0.51) ALOX12HPGDALDH1A1CYP2C9ALOX15
SCHEMBL8385577 0.78 HPGD (0.51) ALOX12HPGDALDH1A1CYP2C9ALOX15
SCHEMBL11773203 0.77 FTO (0.52) ALOX12HPGDALDH1A1CYP2C9ALOX15

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-2004065548-A2 SYNTHETIC MOLECULES FOR LABELING HISTIDINE-RICH PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-08-05 WO disclosed