Terephthalic Acid

Terephthalic Acid

SCHEMBL22719986

CC(C)CCOC=O.O=C(O)c1ccc(C(=O)O)cc1

nearest known ligand 0.63

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
MAPK1 P28482 2/20 0.63
RARB P10826 1/20 0.51
KMT2A Q03164 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.44
NR1H4 Q96RI1 2/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.41
PKM P14618 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 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
Benzoic Acid SCHEMBL28212891 0.82 RARB (0.55) MAPK1RARBNR1H4HSD17B10MAPT
SCHEMBL93241 0.79
SCHEMBL29227586 0.79 ALDH1A1 (0.44) MAPK1ALDH1A1CA1CA2
Propionic Acid SCHEMBL16344134 0.78 FFAR3 (0.40) MAPK1HSD17B10KDM4EALDH1A1CA1
SCHEMBL6538723 0.77 MAPK1 (1.00) MAPK1RARBKMT2ANR1H4HSD17B10
SCHEMBL1953300 0.77 MAPK1 (0.65) MAPK1RARBKMT2ATAS2R14HSD17B10
SCHEMBL29115033 0.77
SCHEMBL29619487 0.77 GABRP (0.42) MAPK1KMT2ATSHRCA1
SCHEMBL29096677 0.76 MAPK1 (0.63) MAPK1RARBKMT2ATAS2R14HSD17B10
SCHEMBL19475952 0.75 MAPK1 (0.61) MAPK1RARBKMT2ATAS2R14NR1H4

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
WO-2020237772-A1 INDUSTRIAL PREPARATION METHOD FOR ZIEGLER-NATTA CATALYST 国家能源集团宁夏煤业有限责任公司 2020-12-03 WO disclosed