Terephthalic Acid

Terephthalic Acid

SCHEMBL3217475

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

nearest known ligand 0.52

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
KMO O15229 2/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C8 P10632 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.45
DAO P14920 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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 SCHEMBL2289641 0.96 KMO (0.50) KMOCYP2C9MEN1KMT2ACA12
Isophthalic Acid SCHEMBL15571798 0.91 KMO (0.49) KMOCYP2C9MEN1KMT2ACA12
Isophthalic Acid SCHEMBL15571507 0.91 KMO (0.49) KMOCYP2C9MEN1KMT2ACA12
Benzoic Acid SCHEMBL1088757 0.89 TSHR (0.58) KMOCYP2C9CYP2C8KMT2ANPC1
Terephthalic Acid SCHEMBL21273913 0.89 TSHR (0.56) KMOCYP2C9CYP2C8MEN1KMT2A
Terephthalic Acid SCHEMBL19063513 0.89 TSHR (0.55) CYP2C9CYP2C8CA12CA1CA2
Terephthalic Acid SCHEMBL1783301 0.88 UNG (0.42) KMOCYP2C9CYP2C8MEN1KMT2A
Benzoic Acid SCHEMBL1249244 0.87 TSHR (0.61) KMOCYP2C9CYP2C8KMT2ANPC1
Benzoic Acid SCHEMBL1716154 0.87 TSHR (0.61) KMOCYP2C9CYP2C8KMT2ANPC1
Terephthalic Acid SCHEMBL9063579 0.87 TSHR (0.57) CYP2C9CYP2C8CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394474-B2 Sterilizable coextruded film for aseptic packaging CRYOVAC, INC. (US) 2013-03-12 US disclosed
US-20100272869-A1 Dimensionally Stable Sterilizable Coextruded Film for Aspetic Packaging CRYOVAC, INC. (US) 2010-10-28 US disclosed
EP-2077944-A2 DIMENSIONALLY STABLE STERILIZABLE COEXTRUDED FILM FOR ASEPTIC PACKAGING Cryovac, Inc. (US) 2009-07-15 EP disclosed
WO-2008073220-A1 VACUUM PACKAGING OF A MEAT PRODUCT USING A FILM HAVING A CARBON DIOXIDE SCAVENGER CRYOVAC, INC. (US) 2008-06-19 WO disclosed
US-20080138478-A1 Vacuum packaging of a meat product using a film having a carbon dioxide scavenger CRYOVAC, INC. 2008-06-12 US disclosed
EP-1866158-A1 STERILIZABLE COEXTRUDED FILM FOR ASEPTIC PACKAGING Cryovac, Inc. (US) 2007-12-19 EP disclosed
WO-2007059331-A2 DIMENSIONALLY STABLE STERILIZABLE COEXTRUDED FILM FOR ASEPTIC PACKAGING CRYOVAC, INC. (US) 2007-05-24 WO disclosed
US-20070110853-A1 Dimensionally stable sterilizable coextruded film for aseptic packaging CRYOVAC, INC. 2007-05-17 US disclosed
WO-2006110316-A1 STERILIZABLE COEXTRUDED FILM FOR ASEPTIC PACKAGING CRYOVAC, INC. (US) 2006-10-19 WO disclosed
US-20060228502-A1 Sterilizable coextruded film for aseptic packaging CRYOVAC, INC. 2006-10-12 US disclosed