2,4,5-Trichlorophenoxyacetic Acid

2,4,5-Trichlorophenoxyacetic Acid

SCHEMBL9006428

Cc1cc(Cl)ccc1OCC#CC(=O)O.O=C(O)COc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 2/20 0.52
PPARD Q03181 4/20 0.50
NPSR1 Q6W5P4 1/20 0.48
PPARG P37231 2/20 0.47
PPARA Q07869 1/20 0.47
LMNA P02545 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL8405377 0.87 LMNA (0.50) TSHRNPSR1LMNAMAPTKDM4E
Mcpb SCHEMBL11006911 0.81 KDM4E (0.58) TDP1TSHRPPARDNPSR1PPARG
Metaxon SCHEMBL9718318 0.80 TDP1 (0.82) TDP1TSHRPPARDNPSR1PPARG
Metaxon SCHEMBL117877 0.80 TDP1 (0.70) TDP1TSHRPPARDNPSR1PPARG
Metaxon SCHEMBL27616565 0.79 TDP1 (0.68) TDP1TSHRPPARDNPSR1PPARG
Metaxon SCHEMBL27765431 0.79 TDP1 (0.68) TDP1TSHRPPARDNPSR1PPARG
Metaxon SCHEMBL18221951 0.79 TDP1 (0.68) TDP1TSHRPPARDNPSR1PPARG
Metaxon SCHEMBL3533162 0.79 TDP1 (0.68) TDP1TSHRPPARDNPSR1PPARG
Metaxon SCHEMBL28800416 0.79 TDP1 (0.68) TDP1TSHRPPARDNPSR1PPARG
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL6072976 0.78 TDP1 (0.87) TDP1TSHRPPARDMAPTSMN1; SMN2

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
EP-0735820-A1 HERBICIDAL DIPHENYL ETHER AND NITROGEN SOLUTION COMPOSITIONS AND METHOD ZENECA LIMITED (GB) 1996-10-09 EP disclosed
WO-1995017094-A1 HERBICIDAL DIPHENYL ETHER AND NITROGEN SOLUTION COMPOSITIONS AND METHOD ZENECA LIMITED (GB) 1995-06-29 WO disclosed
EP-0584227-A1 HERBICIDAL SUBSTITUTED CYCLOHEXANEDIONE AND NITROGEN FERTILISER COMPOSITIONS AND METHOD. ZENECA LTD (GB) 1994-03-02 EP disclosed