Terephthalic Acid

Terephthalic Acid

SCHEMBL5953884

NC(=O)CCC(=O)N(CCO)CCO.O=C(O)c1ccc(C(=O)O)cc1

nearest known ligand 0.40

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 2/20 0.40
TP53 P04637 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
ANPEP P15144 1/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
SRD5A2 P31213 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL2187374 0.84 ALDH1A1 (0.34) CA1CA2CA12CA9POLB
Terephthalic Acid SCHEMBL27908647 0.80 TSHR (0.63) TSHRTP53ANPEPCA1CA2
Terephthalic Acid SCHEMBL27908648 0.80 TSHR (0.63) TSHRTP53ANPEPCA1CA2
Terephthalic Acid SCHEMBL10796271 0.78 TSHR (0.55) TSHRTP53ANPEPCA1CA2
SCHEMBL1905343 0.74 LMNA (0.39) TP53CA1CA2CA12CA9
Terephthalic Acid SCHEMBL15167663 0.73 TSHR (0.60) TSHRTP53ANPEPCA1CA2
Terephthalic Acid SCHEMBL21351796 0.73 TSHR (0.60) TSHRTP53ANPEPCA1CA2
SCHEMBL1232870 0.73 ALDH1A1 (0.41) HDAC3HDAC4HDAC1HDAC2HDAC10
SCHEMBL9503303 0.72 NR4A2 (0.55) HDAC3HDAC4HDAC1HDAC2HDAC10
SCHEMBL10789857 0.72 TSHR (0.52) TSHRTP53ANPEPCA1CA2

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-20060194708-A1 Detergents or cleaning agents HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-08-31 US disclosed