Isophthalic Acid

Isophthalic Acid

SCHEMBL28446166

O=C(O)c1cccc(C(=O)O)c1.c1ccncc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.61
ALDH1A1 P00352 1/20 0.59
APP P05067 1/20 0.59
GAA P10253 1/20 0.59
HCAR3 P49019 1/20 0.59
HCAR2 Q8TDS4 1/20 0.59
NAPRT Q6XQN6 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA6 P23280 1/20 0.56
CA9 Q16790 1/20 0.56
KDM4E B2RXH2 1/20 0.53
KDM6B O15054 1/20 0.53
KDM4A O75164 1/20 0.53
KDM5C P41229 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
KDM2A Q9Y2K7 1/20 0.53
KDM3A Q9Y4C1 1/20 0.53
CYP1A2 P05177 1/20 0.52

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
Isophthalic Acid SCHEMBL15571757 0.96 KMO (0.58) KMOALDH1A1APPGAAHCAR3
Isophthalic Acid SCHEMBL15570518 0.96 KMO (0.58) KMOALDH1A1APPGAAHCAR3
Isophthalic Acid SCHEMBL15572573 0.89 KMO (0.55) KMOALDH1A1APPGAAHCAR3
Isophthalic Acid SCHEMBL15572963 0.89 KMO (0.55) KMOALDH1A1APPGAAHCAR3
Isophthalic Acid SCHEMBL15571760 0.87 KMO (0.50) KMOALDH1A1APPGAAHCAR3
Isophthalic Acid SCHEMBL15570521 0.87 KMO (0.50) KMOALDH1A1APPGAAHCAR3
Isophthalic Acid SCHEMBL1648911 0.87 KMO (0.59) KMOALDH1A1APPGAAHCAR3
Pyridine SCHEMBL28674978 0.86 PARP1 (0.53) KMOALDH1A1APPGAAHCAR3
Benzoic Acid SCHEMBL3811105 0.86 NAPRT (0.70) KMOALDH1A1APPGAAHCAR3
Benzoic Acid SCHEMBL28523082 0.86 NAPRT (0.70) KMOALDH1A1APPGAAHCAR3

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
CN-111636145-A Polyester fiber film for adsorbing heavy metals and preparation method thereof 邓颖菁 2020-09-08 CN disclosed