Terephthalic Acid

Terephthalic Acid

SCHEMBL9766836

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

nearest known ligand 0.51

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
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
APEX1 P27695 1/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 4/20 0.48
TP53 P04637 1/20 0.48
ELANE P08246 1/20 0.46
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SRD5A2 P31213 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
TYR P14679 1/20 0.41
DRD1 P21728 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41

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
SCHEMBL4595754 0.86 TDP1 (0.50) POLBTDP1APEX1HTTTSHR
Terephthalic Acid SCHEMBL27538094 0.82 POLB (0.53) POLBTDP1APEX1HTTTSHR
Terephthalic Acid SCHEMBL21836147 0.82 ALDH1A1 (0.62) POLBTDP1APEX1HTTTSHR
Phthalic Acid SCHEMBL6916601 0.81 ALDH1A1 (0.52) TDP1HTTTSHRELANECA1
SCHEMBL4198420 0.80 ALDH1A1 (0.55) TDP1TSHRELANEALDH1A1HSD17B10
SCHEMBL346685 0.78 ELANE (0.72) POLBTDP1APEX1HTTTSHR
Terephthalic Acid SCHEMBL28859780 0.78 TSHR (0.63) POLBTDP1APEX1HTTTSHR
Terephthalic Acid SCHEMBL10736240 0.78 TSHR (0.63) POLBTDP1APEX1HTTTSHR
Benzoic Acid SCHEMBL27830619 0.78 ELANE (0.49) POLBTDP1APEX1HTTTSHR
Terephthalic Acid SCHEMBL1929898 0.78 TSHR (0.71) POLBTDP1TSHRTP53CA1

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
US-5049631-A Heat resistant SHIN-ETSU CHEMICAL CO., LTD. (JP) 1991-09-17 US disclosed