Terephthalic Acid

Terephthalic Acid

SCHEMBL27990425

O=C(O)c1ccc(C(=O)O)cc1.[Zn].c1c[nH]nn1.c1c[nH]nn1.c1ccc2ccccc2c1

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
▸ TSHR P16473 2/20 0.42
▸ NAPRT Q6XQN6 2/20 0.42
▸ DAO P14920 1/20 0.42
▸ SRD5A2 P31213 2/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NR4A1 P22736 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
Naphthalene SCHEMBL28012217 0.92 MEN1 (0.40) TSHRNAPRTDAOSRD5A2KDM4E
Terephthalic Acid SCHEMBL28044877 0.91 TSHR (0.48) TSHRNAPRTDAOSRD5A2CES2
Benzoic Acid SCHEMBL17495601 0.90 NAPRT (0.54) TSHRNAPRTDAOSRD5A2CES2
Terephthalic Acid SCHEMBL27990724 0.89 TSHR (0.50) TSHRNAPRTDAOSRD5A2CES2
Terephthalic Acid SCHEMBL28067237 0.89 TSHR (0.45) TSHRNAPRTDAOSRD5A2CES2
Terephthalic Acid SCHEMBL28005997 0.88 TSHR (0.48) TSHRNAPRTDAOSRD5A2CES2
Terephthalic Acid SCHEMBL28013542 0.88 TSHR (0.48) TSHRNAPRTDAOSRD5A2CES2
Terephthalic Acid SCHEMBL28065968 0.88 TSHR (0.48) TSHRNAPRTDAOSRD5A2CES2
Benzoic Acid SCHEMBL380582 0.83 NAPRT (0.47) TSHRNAPRTDAOSRD5A2CES2
Terephthalic Acid SCHEMBL28600607 0.83 TSHR (0.43) TSHRNAPRTDAOSRD5A2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104610299-A Zinc naphthalene bistriazole terephthalic acid complex used as potential fluorescent material and preparation method thereof UNIV TIANJIN NORMAL 2015-05-13 — — CN disclosed
CN-104610299-A Zinc naphthalene bistriazole terephthalic acid complex used as potential fluorescent material and preparation method thereof UNIV TIANJIN NORMAL 2015-05-13 — — CN disclosed
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