SCHEMBL18583204

SCHEMBL18583204

C=C(COc1ccc(Cl)cc1Cl)OCC(CC)CCCC

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.76
▸ MAPK1 P28482 2/20 0.76
▸ TDP1 Q9NUW8 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MAPT P10636 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TSHR P16473 5/20 0.42
▸ CA2 P00918 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 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 0.86 ALDH1A1 (1.00) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL5933385 0.86 ALDH1A1 (1.00) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL11256068 0.84 ALDH1A1 (0.71) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL29544082 0.80 ALDH1A1 (0.80) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL29908513 0.77 ALDH1A1 (0.69) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL15810353 0.77 ALDH1A1 (0.69) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL15810368 0.77 ALDH1A1 (0.69) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL21887695 0.76 ALDH1A1 (0.81) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL29510436 0.76 ALDH1A1 (0.81) ALDH1A1MAPK1TDP1L3MBTL1MAPT
SCHEMBL4883230 0.76 ALDH1A1 (0.81) 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
WO-2017035065-A1 BROAD SPECTRUM WEED CONTROL IN FLOODED RICE BY IN-WATER APPLICATION OF AUXIN HERBICIDES DOW AGROSCIENCES LLC (US) 2017-03-02 — — WO disclosed
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