Terephthalic Acid

Terephthalic Acid

SCHEMBL9017252

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

nearest known ligand 0.71

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 3/20 0.71
TP53 P04637 1/20 0.71
ALOX15 P16050 1/20 0.62
SRD5A2 P31213 4/20 0.60
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA12 O43570 1/20 0.57
CA3 P07451 1/20 0.57
TYR P14679 1/20 0.57
DRD1 P21728 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
DAO P14920 1/20 0.55
NAPRT Q6XQN6 1/20 0.55
ALDH1A1 P00352 5/20 0.55

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 SCHEMBL28256092 0.89 TSHR (0.74) TSHRTP53ALOX15SRD5A2DAO
1,2-Dichloroethane SCHEMBL28145161 0.86 EGFR (0.60) TSHRTP53SRD5A2DAONAPRT
Terephthalic Acid SCHEMBL175823 0.84 TSHR (1.00) TSHRTP53ALOX15SRD5A2CA1
Terephthalic Acid SCHEMBL1655 0.84 TSHR (1.00) TSHRTP53ALOX15SRD5A2CA1
Terephthalic Acid SCHEMBL2511919 0.84 TSHR (1.00) TSHRTP53ALOX15SRD5A2CA1
Terephthalic Acid SCHEMBL5053781 0.84 TSHR (1.00) TSHRTP53ALOX15SRD5A2CA1
Terephthalic Acid SCHEMBL1243625 0.81 TSHR (0.80) TSHRTP53ALOX15SRD5A2CA1
Terephthalic Acid SCHEMBL9857246 0.81 TSHR (0.80) TSHRTP53ALOX15SRD5A2CA1
SCHEMBL40281 0.81 CA1 (0.64) TSHRTP53ALOX15SRD5A2CA1
Terephthalic Acid SCHEMBL25381766 0.81 TSHR (0.92) TSHRTP53ALOX15SRD5A2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486441-A CHARGE TRANSPORT TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-01-23 US disclosed
US-5463128-A Charge transporting material TAKASAGO INTERNATIONAL CORPORATION (JP) 1995-10-31 US disclosed