Terephthalic Acid

Terephthalic Acid

SCHEMBL1783301

C1CCCNCC1.N.NCCCCCCN.O=C(O)c1ccc(C(=O)O)cc1.O=C(O)c1cccc(C(=O)O)c1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1

The experimentally established mechanism targets of Terephthalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.42
CYP2C9 P11712 2/20 0.40
CYP2D6 P10635 1/20 0.40
HIF1A Q16665 1/20 0.40
KMO O15229 1/20 0.39
CYP2C8 P10632 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KIF11 P52732 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 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
Terephthalic Acid SCHEMBL3217475 0.88 KMO (0.47) CYP2C9CYP2D6HIF1AKMOCYP2C8
Isophthalic Acid SCHEMBL2289641 0.85 KMO (0.50) UNGCYP2C9CYP2D6HIF1AKMO
Terephthalic Acid SCHEMBL3128260 0.85 UNG (0.49) UNGCYP2C9KMOMEN1KMT2A
Terephthalic Acid SCHEMBL6440220 0.84 LMNA (0.49) UNGCYP2D6NPC1MAPTRAB9A
Isophthalic Acid SCHEMBL5671924 0.82 CA12 (0.52) UNGCYP2C9KMOKIF11HPGD
Isophthalic Acid SCHEMBL259040 0.82 CA12 (0.52) UNGCYP2C9KMOKIF11HPGD
Isophthalic Acid SCHEMBL30479216 0.82 CA12 (0.52) UNGCYP2C9KMOKIF11HPGD
Isophthalic Acid SCHEMBL5670699 0.82 CA12 (0.52) UNGCYP2C9KMOKIF11HPGD
Isophthalic Acid SCHEMBL15571798 0.80 KMO (0.49) UNGCYP2C9CYP2D6HIF1AKMO
Isophthalic Acid SCHEMBL15571507 0.80 KMO (0.49) UNGCYP2C9CYP2D6HIF1AKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110117341-A1 MULTILAYERED FILM WITH EXCELLENT ANTIFOGGING PROPERTY GUNZE LIMITED (JP) 2011-05-19 US claimed
EP-2578398-B1 MULTILAYER FILM AND PACKAGE BODY SUMITOMO BAKELITE CO (JP) 2016-03-30 EP disclosed
US-8551590-B2 Multilayer film and packaging material SUMITOMO BAKELITE CO., LTD (JP) 2013-10-08 US disclosed
EP-2578398-A1 MULTILAYER FILM AND PACKAGING MATERIAL Sumitomo Bakelite Co., Ltd. (JP) 2013-04-10 EP disclosed
US-20130065002-A1 MULTILAYER FILM AND PACKAGING MATERIAL SUMITOMO BAKELITE CO., LTD. (JP) 2013-03-14 US disclosed
US-20110117341-A1 MULTILAYERED FILM WITH EXCELLENT ANTIFOGGING PROPERTY GUNZE LIMITED (JP) 2011-05-19 US disclosed