Terephthalic Acid

Terephthalic Acid

SCHEMBL28489170

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

nearest known ligand 0.60

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 0.60
TP53 P04637 1/20 0.60
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 2/20 0.54
SRD5A2 P31213 2/20 0.52
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
GRM1 Q13255 2/20 0.50
ANPEP P15144 2/20 0.50
CA12 O43570 2/20 0.50
CA3 P07451 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
Benzoic Acid SCHEMBL15658034 0.91 TSHR (0.64) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
Terephthalic Acid SCHEMBL31729344 0.90 TSHR (0.67) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
Isonicotinic Acid SCHEMBL9167341 0.85 NAPRT (0.68) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
Isonicotinic Acid SCHEMBL9167344 0.85 NAPRT (0.68) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
Terephthalic Acid SCHEMBL20676742 0.84 TSHR (0.67) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
Terephthalic Acid SCHEMBL23069370 0.84 TSHR (0.75) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
Terephthalic Acid SCHEMBL28393368 0.84 TSHR (0.75) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
Terephthalic Acid SCHEMBL23071346 0.84 TSHR (0.75) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
Terephthalic Acid SCHEMBL29117098 0.82 TSHR (0.63) TSHRTP53ALDH1A1SMN1; SMN2KMT2A
Terephthalic Acid SCHEMBL338413 0.81 TSHR (0.71) TSHRTP53ALDH1A1SMN1; SMN2KMT2A

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-107579203-B Silicon-doped carbon porous composite film of lithium ion battery and preparation method thereof 华南理工大学 2020-12-22 CN claimed