Terephthalic Acid

Terephthalic Acid

SCHEMBL28359862

CC(=O)OCCO.O=C(O)c1ccc(C(=O)O)cc1.OCCOCCO

nearest known ligand 0.43

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
▸ HSD17B10 Q99714 2/20 0.43
▸ TSHR P16473 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ RARB P10826 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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 SCHEMBL3952132 0.88 TSHR (0.45) TSHRRARBALDH1A1TDP1SMN1; SMN2
Terephthalic Acid SCHEMBL6554172 0.87 TSHR (0.57) TSHRTP53RARBMAPK1ALOX15
Terephthalic Acid SCHEMBL375131 0.87 TSHR (0.57) TSHRTP53RARBMAPK1ALOX15
Terephthalic Acid SCHEMBL674458 0.85 TSHR (0.55) TSHRTP53RARBMAPK1ALOX15
Tetraethylene Glycol SCHEMBL3841162 0.85 TSHR (0.55) TSHRTP53RARBMAPK1ALOX15
Terephthalic Acid SCHEMBL9165497 0.85 TSHR (0.55) TSHRTP53RARBMAPK1ALOX15
Terephthalic Acid SCHEMBL10383285 0.85 TSHR (0.55) TSHRTP53RARBMAPK1ALOX15
Terephthalic Acid SCHEMBL27506116 0.85 TSHR (0.55) TSHRTP53RARBMAPK1ALOX15
Terephthalic Acid SCHEMBL31548541 0.83 TSHR (0.52) TSHRTP53RARBMAPK1ALOX15
Benzoic Acid SCHEMBL3956351 0.81 TSHR (0.54) HSD17B10TSHRTP53RARBMAPK1

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-110835407-A Polyester polyol, method for producing same, and polyurethane foam material 远东新世纪股份有限公司 2020-02-25 — — CN disclosed
Send feedback