2,4,5-Trichlorophenoxyacetic Acid

2,4,5-Trichlorophenoxyacetic Acid

SCHEMBL1622208

C=C(C)C(=O)O.C=C(C)C(=O)O.O=C([O-])COc1cc(Cl)c(Cl)cc1Cl.O=C([O-])COc1cc(Cl)c(Cl)cc1Cl.[Cu+2]

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FKBP1A P62942 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.38
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTT P42858 2/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL1621462 0.97 LMNA (0.53) LMNATDP1TSHRL3MBTL1FKBP1A
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL1621029 0.97 LMNA (0.53) LMNATDP1TSHRL3MBTL1FKBP1A
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL7186410 0.93 LMNA (0.54) LMNATDP1TSHRL3MBTL1FKBP1A
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL7186524 0.90 LMNA (0.54) LMNATDP1TSHRL3MBTL1FKBP1A
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL7185249 0.90 LMNA (0.54) LMNATDP1TSHRL3MBTL1FKBP1A
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL4587919 0.87 LMNA (0.61) LMNATDP1TSHRL3MBTL1FKBP1A
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL27479581 0.85 LMNA (0.55) LMNATDP1TSHRL3MBTL1FKBP1A
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL27463200 0.85 LMNA (0.55) LMNATDP1TSHRL3MBTL1FKBP1A
2,4,5-Trichlorophenoxyacetic Acid SCHEMBL27464046 0.85 LMNA (0.55) LMNATDP1TSHRL3MBTL1FKBP1A
2,4-Dichlorophenoxyacetic Acid SCHEMBL1623675 0.85 TDP1 (0.60) LMNATDP1TSHRL3MBTL1ALDH1A1

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-7928175-B2 Antifouling paint composition MITSUBISHI RAYON CO., LTD. (JP) 2011-04-19 US disclosed
US-20060258772-A1 Antifouling paint composition MITSUBISHI RAYON CO. LTD. (JP) 2006-11-16 US disclosed