Terephthalic Acid

Terephthalic Acid

SCHEMBL28028514

NCCNCCN.O=C(O)c1ccc(C(=O)O)cc1

nearest known ligand 0.55

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 4/20 0.55
TP53 P04637 2/20 0.55
SRD5A2 P31213 1/20 0.48
ALDH1A1 P00352 6/20 0.46
CA12 O43570 3/20 0.46
CA6 P23280 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA5B Q9Y2D0 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA5A P35218 2/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL13496891 0.86 ALDH1A1 (0.61) TSHRTP53ALDH1A1KMT2ASMN1; SMN2
Terephthalic Acid SCHEMBL20240893 0.83 TSHR (0.63) TSHRTP53SRD5A2ALDH1A1CA12
Terephthalic Acid SCHEMBL29181739 0.83 TSHR (0.71) TSHRTP53SRD5A2ALDH1A1CA12
Isophthalic Acid SCHEMBL589816 0.82 KDM4E (0.49) CA12CA6CA9CA1CA2
Benzoic Acid SCHEMBL27395012 0.82 DAO (0.47) TSHRSRD5A2ALDH1A1MEN1KMT2A
Terephthalic Acid SCHEMBL17835406 0.81 TSHR (0.60) TSHRTP53SRD5A2ALDH1A1CA12
Terephthalic Acid SCHEMBL6453701 0.81 TSHR (0.60) TSHRTP53SRD5A2ALDH1A1CA12
Terephthalic Acid SCHEMBL20240890 0.81 TSHR (0.60) TSHRTP53SRD5A2ALDH1A1CA12
Terephthalic Acid SCHEMBL337710 0.81 TSHR (0.60) TSHRTP53SRD5A2ALDH1A1CA12
Terephthalic Acid SCHEMBL7046508 0.81 TSHR (0.60) TSHRTP53SRD5A2ALDH1A1CA12

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-118290287-A Depolymerization method for realizing oriented recovery of PET (polyethylene terephthalate) fibers 中国科学院青岛生物能源与过程研究所 2024-07-05 CN disclosed
CN-104884590-A Ultra-low SAPS lubricating oil for internal combustion engines CHEVRON ORONITE CO 2015-09-02 CN disclosed