Terephthalic Acid

Terephthalic Acid

SCHEMBL27799191

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

nearest known ligand 0.67

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
MAPT P10636 1/20 0.67
ALDH1A1 P00352 3/20 0.58
TSHR P16473 3/20 0.57
TP53 P04637 1/20 0.57
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 1/20 0.52
SRD5A2 P31213 2/20 0.50
HCAR3 P49019 1/20 0.49
MAPK1 P28482 1/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
TYR P14679 1/20 0.48
DRD1 P21728 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL4577544 0.86 ALDH1A1 (0.59) MAPTALDH1A1TSHRTP53HTT
Terephthalic Acid SCHEMBL28926617 0.86 MAPT (0.57) MAPTALDH1A1TSHRTP53HTT
SCHEMBL9234376 0.86 ALDH1A1 (0.59) MAPTALDH1A1TSHRTP53HTT
Hydrochloric Acid SCHEMBL9192168 0.84 ALDH1A1 (0.57) MAPTALDH1A1TSHRTP53HTT
SCHEMBL19412971 0.84 MAPT (0.56) MAPTALDH1A1TSHRTP53HTT
Terephthalic Acid SCHEMBL2160594 0.83 TSHR (0.60) MAPTALDH1A1TSHRTP53HTT
Terephthalic Acid SCHEMBL11564620 0.83 TSHR (0.60) MAPTALDH1A1TSHRTP53HTT
Isophthalic Acid SCHEMBL1790335 0.83 KMT2A (0.50) MAPTALDH1A1KMT2ACA1CA2
SCHEMBL9144768 0.82 ALDH1A1 (0.55) MAPTALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL11527703 0.82 ALDH1A1 (0.55) MAPTALDH1A1HTTSMN1; SMN2KMT2A

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
CN-101681140-B Electrically conductive roller BRIDGESTONE CORP 2012-08-22 CN disclosed
CN-101681140-A electrically conductive roller BRIDGESTONE CORP 2010-03-24 CN disclosed