Terephthalic Acid

Terephthalic Acid

SCHEMBL7046508

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

nearest known ligand 0.60

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 0.60
TP53 P04637 2/20 0.60
SRD5A2 P31213 2/20 0.52
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA3 P07451 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 2/20 0.48
TPMT P51580 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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 SCHEMBL6453701 1.00 TSHR (0.60) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL17835406 1.00 TSHR (0.60) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL6231749 1.00 TSHR (0.60) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL20240890 1.00 TSHR (0.60) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL337710 1.00 TSHR (0.60) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL28803923 1.00 TSHR (0.60) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL20240893 0.97 TSHR (0.63) TSHRTP53SRD5A2CA1CA2
Benzoic Acid SCHEMBL2969867 0.91 TSHR (0.64) TSHRTP53SRD5A2ALDH1A1ALOX15
Benzoic Acid SCHEMBL164261 0.91 TSHR (0.64) TSHRTP53SRD5A2ALDH1A1ALOX15
Terephthalic Acid SCHEMBL23270885 0.89 TP53 (0.61) TSHRTP53ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030145929-A1 Pneumatic radial tire KANENARI DAISUKE (JP) 2003-08-07 US disclosed
US-20010010245-A1 Pneumatic radial tire THE YOKOHAMA RUBBER CO., LTD. 2001-08-02 US disclosed
EP-0095893-B2 Polyamide elastomer TORAY INDUSTRIES (JP) 1994-04-20 EP disclosed
EP-0095893-B1 POLYAMIDE ELASTOMER TORAY INDUSTRIES, INC. (JP) 1989-09-06 EP disclosed
EP-0073557-B1 COPOLYAMIDE, PROCESS FOR PRODUCING THEREOF AND COPOLYAMIDE MOLDING COMPOSITION COMPRISING THEREOF TORAY INDUSTRIES, INC. (JP) 1985-09-25 EP disclosed
US-4471088-A MOLDING MATERIALS, HEXAMETHYLENEDIAMINE, UNDECAMETHYLENEDIAMINE TORAY INDUSTRIES, INC. (JP) 1984-09-11 US disclosed
US-4438240-A THERMOPLASTIC POLYETHER-ESTER-AMIDE TORAY INDUSTRIES, INCORPORATED (JP) 1984-03-20 US disclosed
EP-0095893-A2 Polyamide elastomer TORAY INDUSTRIES, INC. (JP) 1983-12-07 EP disclosed
EP-0073557-A1 Copolyamide, process for producing thereof and copolyamide molding composition comprising thereof TORAY INDUSTRIES, INC. (JP) 1983-03-09 EP disclosed