SCHEMBL28372328

SCHEMBL28372328

CC(=O)OC(=O)COc1ccc(Cl)cc1Cl.[NaH]

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.62
▸ ALDH1A1 P00352 2/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ TSHR P16473 2/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ MAPT P10636 3/20 0.54
▸ HTT P42858 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL14959826 0.98 TDP1 (0.64) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL28947786 0.87 CYP1A2 (0.64) TDP1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL11655261 0.83 TDP1 (0.64) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL7183375 0.83 TDP1 (0.56) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL7177996 0.83 TDP1 (0.56) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL7177957 0.83 TDP1 (0.56) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
2,4-Dichlorophenoxyacetic Acid, Methyl Ester SCHEMBL5004223 0.83 MAPT (0.70) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL9974137 0.82 TDP1 (0.72) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL27410860 0.82 TDP1 (0.62) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL4644003 0.81 LMNA (0.70) TDP1ALDH1A1L3MBTL1TSHRSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110988186-B Liquid chromatography tandem mass spectrometry detection method for detecting harmful substance residues in bean sprouts 衢州市食品药品检验研究院 2022-08-16 — — CN disclosed
CN-114890887-A Preparation method of 2, 4-dichlorphenoxyethylate 宁夏宁东弘丰化工有限公司 2022-08-12 — — CN disclosed
CN-216172204-U 2, 4-dichlorphenoxyacetic acid condensation mother liquor returns material processing apparatus 江西天宇化工有限公司 2022-04-05 — — CN disclosed
CN-114041467-A Preparation method of super absorbent resin for inhibiting weed growth, sterilizing and promoting crop growth 潍坊科技学院 2022-02-15 — — CN disclosed
CN-109053409-B Preparation method of 2,4-D 江西天宇化工有限公司 2021-12-24 — — CN disclosed
CN-110988186-A Liquid chromatography tandem mass spectrometry detection method for detecting harmful substance residues in bean sprouts 衢州市食品药品检验研究院 2020-04-10 — — CN disclosed
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