Terephthalic Acid

Terephthalic Acid

SCHEMBL8434102

CC[N+](CC)(CC)Cc1ccccc1.O=C([O-])c1ccc(C(=O)O)cc1

nearest known ligand 0.55

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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 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 2/20 0.55
CYP2D6 P10635 1/20 0.55
TAS2R10 Q9NYW0 1/20 0.55
ALDH1A1 P00352 1/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 1/20 0.44
HSD17B10 Q99714 1/20 0.44
BCL2 P10415 1/20 0.42
TAS2R14 Q9NYV8 3/20 0.42
SRD5A2 P31213 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
RXRA P19793 3/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
CYP1A2 P05177 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
Terephthalic Acid SCHEMBL8434094 0.95 LMNA (0.59) TSHRMEN1KMT2ALMNACYP2D6
SCHEMBL9132260 0.93 TSHR (0.50) TSHRMEN1KMT2ALMNACYP2D6
Benzoic Acid SCHEMBL236709 0.92 MEN1 (0.62) TSHRMEN1KMT2ALMNACYP2D6
Terephthalic Acid SCHEMBL8434098 0.92 ALDH1A1 (0.52) TSHRMEN1KMT2ALMNACYP2D6
SCHEMBL9137481 0.92 MEN1 (0.49) TSHRMEN1KMT2ALMNACYP2D6
SCHEMBL9134307 0.91 TSHR (0.48) TSHRMEN1KMT2ALMNACYP2D6
Isophthalic Acid SCHEMBL8439194 0.87 MEN1 (0.55) TSHRMEN1KMT2ALMNACYP2D6
SCHEMBL9131875 0.87 KMT2A (0.52) TSHRMEN1KMT2ALMNACYP2D6
SCHEMBL9134320 0.85 LMNA (0.51) TSHRMEN1KMT2ALMNACYP2D6
Tetrylammonium SCHEMBL8778011 0.85 CA2 (0.57) TSHRMEN1KMT2ALMNACYP2D6

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-5933693-A Electroconductive elastic member and electrophotographic apparatus using same BRIDGESTONE CORPORATION (JP) 1999-08-03 US disclosed