SCHEMBL28515884

SCHEMBL28515884

O=C(COc1cc(Cl)c(Cl)cc1Cl)OC(=O)COc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.73
▸ TDP1 Q9NUW8 3/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ TSHR P16473 1/20 0.63
▸ FKBP1A P62942 1/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PKM P14618 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43

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
SCHEMBL4645109 0.91 LMNA (0.63) LMNATDP1L3MBTL1TSHRFKBP1A
SCHEMBL4644001 0.89 LMNA (0.65) LMNATDP1L3MBTL1TSHRFKBP1A
SCHEMBL4644003 0.89 LMNA (0.70) LMNATDP1L3MBTL1TSHRFKBP1A
SCHEMBL4642163 0.88 LMNA (0.59) LMNATDP1L3MBTL1TSHRFKBP1A
SCHEMBL11144273 0.86 LMNA (0.61) LMNATDP1L3MBTL1TSHRFKBP1A
SCHEMBL4642350 0.86 LMNA (0.56) LMNATDP1L3MBTL1TSHRFKBP1A
SCHEMBL29084698 0.85 LMNA (0.59) LMNATDP1L3MBTL1TSHRFKBP1A
2,4,5-Trichlorophenoxyacetic Acid, Methyl Ester SCHEMBL29561046 0.85 LMNA (1.00) LMNATDP1L3MBTL1TSHRFKBP1A
SCHEMBL4642159 0.84 TDP1 (0.67) LMNATDP1L3MBTL1TSHRFKBP1A
SCHEMBL7185451 0.84 LMNA (0.58) LMNATDP1L3MBTL1TSHRFKBP1A

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
CN-112174838-A 2,4, 5-trichlorophenoxyacetic acid hapten, artificial antigen and application thereof in immunodetection 广东达元绿洲食品安全科技股份有限公司 2021-01-05 — — CN disclosed
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