SCHEMBL21887695

SCHEMBL21887695

CCCCC(CC)COC(=O)COc1ccc(C)cc1Cl

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.81
▸ MAPK1 P28482 2/20 0.81
▸ TDP1 Q9NUW8 4/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ MAPT P10636 2/20 0.48
▸ TSHR P16473 4/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ ATM Q13315 2/20 0.48
▸ CA2 P00918 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PPARG P37231 1/20 0.39

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
SCHEMBL29394502 0.90 ALDH1A1 (1.00) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL5933385 0.90 ALDH1A1 (1.00) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL5933782 0.86 ALDH1A1 (0.77) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL4883230 0.84 ALDH1A1 (0.81) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL29510436 0.84 ALDH1A1 (0.81) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL13854811 0.80 CYP3A4 (0.58) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL29544082 0.79 ALDH1A1 (0.80) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL13612277 0.79 TSHR (0.60) ALDH1A1MAPK1TDP1L3MBTL1TSHR
SCHEMBL9831501 0.77 ALDH1A1 (0.63) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL18583204 0.76 ALDH1A1 (0.76) ALDH1A1MAPK1TDP1L3MBTL1MAPT

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
EP-2877012-B1 HERBICIDAL COMPOSITIONS COMPRISING 4-AMINO-3-CHLORO-5-FLUORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL) PYRIDINE-2-CARBOXYLIC ACID DOW AGROSCIENCES LLC (US) 2020-03-18 — — EP disclosed
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