SCHEMBL8570235

SCHEMBL8570235

CC(=O)OC1COCC1OC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PPOX P50336 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL11060009 0.79 MEN1 (0.58) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL8560334 0.73 TDP1 (0.50) ALDH1A1MAPTHPGDHTTNPSR1
SCHEMBL9737247 0.72 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL11068472 0.72 MEN1 (0.45) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL11060869 0.71 MEN1 (0.44) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL9765179 0.70 PPOX (0.43) ALDH1A1MAPTHPGDHTTNPSR1
SCHEMBL11188018 0.69 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1PPOX
SCHEMBL8569183 0.69 PPOX (0.49) PPOX
SCHEMBL8565283 0.68 GRM7 (0.38)
SCHEMBL8565820 0.68 GRM7 (0.41)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548593-B1 Tetrahydrofuran derivative and herbicide containing the same as effective ingredient MITSUBISHI CHEM CORP (JP) 1998-04-22 EP disclosed
US-5405828-A Selective pre- and postemergence herbicides MITSUBISHI KASEI CORPORATION (JP) 1995-04-11 US disclosed
US-5324709-A Safety on crops MITSUBISHI KASEI CORPORATION (JP) 1994-06-28 US disclosed
EP-0548593-A1 Tetrahydrofuran derivative and herbicide containing the same as effective ingredient Mitsubishi Chemical Corporation (JP) 1993-06-30 EP disclosed