Terephthalic Acid

Terephthalic Acid

SCHEMBL29200788

O=C(O)c1ccc(C(=O)O)cc1.O=C1CCCC(=O)N1

nearest known ligand 0.56

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
CRBN Q96SW2 3/20 0.56
TSHR P16473 3/20 0.52
TP53 P04637 1/20 0.52
DDB1 Q16531 1/20 0.51
MAPT P10636 3/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 5/20 0.48
CA1 P00915 3/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
SRD5A2 P31213 1/20 0.46
CA2 P00918 2/20 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

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 SCHEMBL29048824 1.00 CRBN (0.56) CRBNTSHRTP53DDB1MAPT
Benzoic Acid SCHEMBL28697460 0.92 TSHR (0.56) CRBNTSHRTP53DDB1MAPT
Terephthalic Acid SCHEMBL4633354 0.91 TSHR (0.57) CRBNTSHRTP53DDB1HTT
Benzoic Acid SCHEMBL17543975 0.83 TSHR (0.61) CRBNTSHRTP53DDB1HPGD
Succinimide SCHEMBL27830760 0.82 BCL2L1 (0.59) CRBNTSHRTP53DDB1CA1
Bicarbonate SCHEMBL28617859 0.81 CRBN (0.77) CRBNTSHRDDB1MAPTALDH1A1
Bicarbonate SCHEMBL28617862 0.81 CRBN (0.77) CRBNTSHRDDB1MAPTALDH1A1
Succinimide SCHEMBL28035341 0.79 ALDH1A1 (0.68) CRBNTSHRTP53DDB1MAPT
SCHEMBL940361 0.79 MAPT (0.62) CRBNMAPTHTTALDH1A1TDP2
Oxalic Acid SCHEMBL30524294 0.79 CRBN (0.72) CRBNTSHRDDB1MAPTALDH1A1

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-110540511-B Extraction and purification method of diamine salt 上海凯赛生物技术股份有限公司 2024-05-03 CN disclosed