Terephthalic Acid

Terephthalic Acid

SCHEMBL29132843

C=C.CC(O)CO.O=C(O)c1ccc(C(=O)O)cc1

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
TSHR P16473 3/20 0.52
TP53 P04637 1/20 0.52
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SRD5A2 P31213 2/20 0.46
MAPK1 P28482 1/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
MAPT P10636 1/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
TYR P14679 1/20 0.44
DRD1 P21728 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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 SCHEMBL855281 0.96 TSHR (0.57) TSHRTP53KMT2AALDH1A1SMN1; SMN2
Terephthalic Acid SCHEMBL28791012 0.96 TSHR (0.57) TSHRTP53KMT2AALDH1A1SMN1; SMN2
Terephthalic Acid SCHEMBL10938231 0.96 TSHR (0.57) TSHRTP53KMT2AALDH1A1SMN1; SMN2
Terephthalic Acid SCHEMBL11809850 0.91 TSHR (0.52) TSHRTP53KMT2AALDH1A1SMN1; SMN2
Terephthalic Acid SCHEMBL27843678 0.91 TSHR (0.52) TSHRTP53KMT2AALDH1A1SMN1; SMN2
Terephthalic Acid SCHEMBL28992746 0.88 USP5 (0.50) TSHRTP53KMT2AALDH1A1SMN1; SMN2
Paraben SCHEMBL4616664 0.88 CA2 (0.64) TSHRTP53KMT2AALDH1A1SMN1; SMN2
4-Methylbenzoic Acid SCHEMBL5081494 0.88 ALDH1A1 (0.68) TSHRTP53KMT2AALDH1A1SMN1; SMN2
Benzoic Acid SCHEMBL1255194 0.87 TSHR (0.61) TSHRTP53KMT2AALDH1A1SMN1; SMN2
Benzoic Acid SCHEMBL4326067 0.87 TSHR (0.61) TSHRTP53KMT2AALDH1A1SMN1; 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
CN-114874557-B High-temperature-resistant low-expansion-rate rubber material for nuclear island equipment and preparation method thereof 陕西特种橡胶制品有限公司 2023-11-21 CN disclosed