SCHEMBL9058253

SCHEMBL9058253

O=C(O)c1cc(O)c(O)c(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.49
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
ALDH1A1 P00352 5/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
TPMT P51580 1/20 0.45
ALKBH2 Q6NS38 1/20 0.45
ALKBH5 Q6P6C2 1/20 0.45
ALKBH3 Q96Q83 1/20 0.45
FTO Q9C0B1 1/20 0.45
MET P08581 1/20 0.43
ABCB1 P08183 2/20 0.43
ABCC1 P33527 2/20 0.43
GAA P10253 1/20 0.43
DBH P09172 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43

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
SCHEMBL9058254 1.00 HPGD (0.49) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL9057549 0.81 PTGS2 (0.45) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL9056928 0.81 MEN1 (0.54) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL6749821 0.80 KMT2A (0.53) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL9055309 0.80 KMT2A (0.48) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL9054225 0.80 PTGS2 (0.59) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL9635439 0.79 ESR2 (0.54) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL9635431 0.79 ESR2 (0.54) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL9059958 0.79 TPMT (0.47) HPGDKMT2AMEN1ALDH1A1POLB
SCHEMBL9054334 0.78 PTGS2 (0.51) HPGDALDH1A1POLBLMNASMN1; SMN2

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-1996008483-A1 GALLIC ACID DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1996-03-21 WO disclosed