Isophthalic Acid

Isophthalic Acid

SCHEMBL28033549

CCCCS(=O)(=O)c1ncc[nH]1.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.40
KMT2A Q03164 1/20 0.40
CD74 P04233 1/20 0.39
MIF P14174 1/20 0.39
KDM5A P29375 1/20 0.39
PLA2G4B P0C869 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
NR1H4 Q96RI1 5/20 0.38
WDR5 P61964 1/20 0.38
LTB4R Q15722 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
SCHEMBL2851629 0.78 EPHX2 (0.39)
SCHEMBL11311538 0.74 CYP2C19 (0.49) KMT2ALTB4R
SCHEMBL28033072 0.73
Isophthalic Acid SCHEMBL11324134 0.72 KMT2A (0.58) PTPN11KMT2APLA2G4BNR1H4
SCHEMBL7288670 0.71 CA2 (0.40)
Benzoic Acid SCHEMBL27861506 0.69 TBXAS1 (0.57) KMT2APLA2G4B
SCHEMBL7288664 0.69 TBXAS1 (0.33)
SCHEMBL7296085 0.68 CA2 (0.40)
SCHEMBL2010779 0.68 ALDH1A1 (0.39)
Isophthalic Acid SCHEMBL1483205 0.68 KMT2A (0.61) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153180-A Method for extracting cinnamomum longepaniculatum essential oil and simultaneously preparing ellagic acid through hydrolyzing tannin UNIV NORTHEAST FORESTRY 2015-12-16 CN disclosed
CN-105062687-A Method for extracting eucalyptus oil and hydrolyzing tannin to prepare ellagic acid at the same time UNIV NORTHEAST FORESTRY 2015-11-18 CN disclosed