SCHEMBL27375825

SCHEMBL27375825

O=C(COc1ccc(Cl)cc1Cl)ONC(=O)c1ccc(C(=O)NOC(=O)COc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.57
▸ TSHR P16473 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MAPT P10636 3/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ LMNA P02545 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MRGPRX4 Q96LA9 1/20 0.50
▸ HPGD P15428 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 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
SCHEMBL27374270 0.99 TDP1 (0.56) TDP1TSHRALDH1A1L3MBTL1MAPT
SCHEMBL27374443 0.93 TDP1 (0.57) TDP1TSHRALDH1A1L3MBTL1MAPT
SCHEMBL27374460 0.85 TDP1 (0.43) TDP1TSHRALDH1A1L3MBTL1MAPT
SCHEMBL27374367 0.84 TDP1 (0.61) TDP1TSHRALDH1A1L3MBTL1MAPT
SCHEMBL27374181 0.84 HPGD (0.69) ALDH1A1MAPTNPC1RAB9ALMNA
2,4-Dichlorophenoxyacetic Acid, Methyl Ester SCHEMBL5004223 0.79 MAPT (0.70) TDP1TSHRALDH1A1L3MBTL1MAPT
SCHEMBL28644024 0.79 TDP1 (0.68) TDP1TSHRALDH1A1L3MBTL1MAPT
SCHEMBL14361927 0.77 TDP1 (0.70) TDP1TSHRALDH1A1L3MBTL1MAPT
SCHEMBL27374559 0.77 TDP1 (0.71) TDP1TSHRALDH1A1L3MBTL1MAPT
SCHEMBL21467730 0.77 SMN1; SMN2 (0.61) TDP1TSHRALDH1A1L3MBTL1MAPT

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
WO-2024031002-A1 (2,4-DICHLOROPHENOXY)ACETIC ACID ANALOGS CORTEVA AGRISCIENCE LLC (US) 2024-02-08 — — WO disclosed
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