Terephthalic Acid

Terephthalic Acid

SCHEMBL9859986

O=C(O)CCCCC(=O)O.O=C(O)CCCCC(=O)O.O=C(O)CCCCC(=O)O.O=C(O)CCCCC(=O)O.O=C(O)c1ccc(C(=O)O)cc1.O=C(O)c1ccc(C(=O)O)cc1.O=C(O)c1ccc(C(=O)O)cc1.O=C(O)c1ccc(C(=O)O)cc1.O=C(O)c1ccc(C(=O)O)cc1.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
TSHR P16473 4/20 0.63
TP53 P04637 1/20 0.63
LMNA P02545 2/20 0.58
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
MAPK1 P28482 2/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
SRD5A2 P31213 1/20 0.55
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52

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 SCHEMBL352170 1.00 TSHR (0.63) TSHRTP53LMNAHDAC3HDAC4
Terephthalic Acid SCHEMBL17727985 1.00 TSHR (0.63) TSHRTP53LMNAHDAC3HDAC4
Terephthalic Acid SCHEMBL9739994 1.00 TSHR (0.63) TSHRTP53LMNAHDAC3HDAC4
Terephthalic Acid SCHEMBL10927542 1.00 TSHR (0.63) TSHRTP53LMNAHDAC3HDAC4
Azelaic Acid SCHEMBL351913 0.97 LMNA (0.60) TSHRTP53LMNAHDAC3HDAC4
Terephthalic Acid SCHEMBL11145819 0.97 LMNA (0.60) TSHRTP53LMNAHDAC3HDAC4
Sebacic Acid SCHEMBL352890 0.97 LMNA (0.60) TSHRTP53LMNAHDAC3HDAC4
Terephthalic Acid SCHEMBL869533 0.97 TSHR (0.60) TSHRTP53LMNAHDAC3HDAC4
Sebacic Acid SCHEMBL30734379 0.97 LMNA (0.60) TSHRTP53LMNAHDAC3HDAC4
Terephthalic Acid SCHEMBL10528457 0.97 TSHR (0.60) TSHRTP53LMNAHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023296-A Blend of hydrolyzed ethylene-vinyl acetate copolymer, polyesters, and polyamideester copolymers NIPPON GOHSEI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-06-11 US disclosed
US-4533576-A METAL FOIL AND THERMOPLASTIC RESIN TOYO SEIKAN KAISHA LIMITED (JP) 1985-08-06 US disclosed
EP-0101250-A2 Composite material for packaging containers TOYO SEIKAN KAISHA LIMITED (JP) 1984-02-22 EP disclosed