SCHEMBL6479542

SCHEMBL6479542

Nc1c(C(=O)O)ccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.58
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
ALOX12 P18054 2/20 0.56
BRCA1 P38398 2/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPT P10636 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
RECQL P46063 2/20 0.55
HTT P42858 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP2C19 P33261 1/20 0.55
BLM P54132 1/20 0.55
SMAD3 P84022 1/20 0.55
PRMT1 Q99873 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
LMNA P02545 3/20 0.41

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
SCHEMBL6037012 0.88 ALDH1A1 (0.56) FTOALDH1A1HPGDALOX12BRCA1
SCHEMBL7907421 0.87 ALDH1A1 (0.53) FTOALDH1A1HPGDALOX12BRCA1
SCHEMBL5496952 0.87 FTO (0.55) FTOALDH1A1HPGDALOX12BRCA1
SCHEMBL17515090 0.86 ALDH1A1 (0.55) FTOALDH1A1HPGDALOX12BRCA1
SCHEMBL20832 0.86 ALDH1A1 (0.60) FTOALDH1A1HPGDALOX12BRCA1
SCHEMBL25220939 0.86 HPGD (0.52) FTOALDH1A1HPGDALOX12BRCA1
SCHEMBL5766493 0.86 ALDH1A1 (0.52) FTOALDH1A1HPGDALOX12BRCA1
SCHEMBL9405138 0.86 FTO (0.54) FTOALDH1A1HPGDALOX12BRCA1
SCHEMBL139173 0.85 FTO (0.65) FTOALDH1A1HPGDALOX12BRCA1
SCHEMBL29044412 0.85 ALDH1A1 (0.67) FTOALDH1A1HPGDALOX12BRCA1

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-2005007082-A2 TREATMENT OF CHRONIC BACTERIAL INFECTION WISYS TECHNOLOGY FOUNDATION, INC. (US) 2005-01-27 WO disclosed