SCHEMBL8342298

SCHEMBL8342298

C#CC(C)(C)OC(=O)c1cnc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.48
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 11/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.41
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
APEX1 P27695 1/20 0.37
MEN1 O00255 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL454098 0.83 ALDH1A1 (0.48) TDP1ALDH1A1L3MBTL1MAPK1NTRK1
SCHEMBL473919 0.75 ALDH1A1 (0.51) TDP1ALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL29726958 0.75 ALDH1A1 (0.51) TDP1ALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL8337219 0.74 ALDH1A1 (0.48) TDP1ALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL9696090 0.72 ALDH1A1 (0.44) TDP1ALDH1A1L3MBTL1MAPK1NTRK1
SCHEMBL24198765 0.72 KMT2A (0.46) TDP1ALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL15202917 0.72 TDP1 (0.50) TDP1ALDH1A1L3MBTL1MAPK1KMT2A
SCHEMBL31050105 0.71 ALDH1A1 (0.61) TDP1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL337203 0.71 ALDH1A1 (0.61) TDP1ALDH1A1L3MBTL1MAPK1MAPT
SCHEMBL1424795 0.70 TDP1 (0.41) TDP1ALDH1A1L3MBTL1MAPK1NTRK1

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
US-5968875-A FUNGICIDES FOR PLANTS DOW AGROSCIENCES LLC (US) 1999-10-19 US disclosed