SCHEMBL5209673

SCHEMBL5209673

CCOC(=O)C(C(=O)OCC)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
MAPK1 P28482 1/20 0.44
PDE2A O00408 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SCN9A Q15858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL29690135 0.88 MAPK1 (0.56) POLBGAASMN1; SMN2KMT2AHPGD
SCHEMBL22499865 0.88 MAPK1 (0.56) POLBGAASMN1; SMN2KMT2AHPGD
SCHEMBL20708027 0.87 POLB (0.61) POLBGAASMN1; SMN2KMT2AHPGD
SCHEMBL29566202 0.80 APLNR (0.43) POLBGAASMN1; SMN2KMT2AHPGD
SCHEMBL931824 0.80 APLNR (0.43) POLBGAASMN1; SMN2KMT2AHPGD
SCHEMBL17331919 0.80 POLB (0.50) POLBGAASMN1; SMN2KMT2AHPGD
SCHEMBL12985766 0.80 MEN1 (0.43) POLBGAASMN1; SMN2KMT2AHPGD
SCHEMBL1604959 0.78 GAA (0.55) POLBGAASMN1; SMN2KMT2AHPGD
SCHEMBL22499955 0.78 KMT2A (0.50) POLBGAASMN1; SMN2KMT2AHPGD
SCHEMBL17765262 0.78 MEN1 (0.43) POLBGAASMN1; SMN2KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156048-B1 Heteroaroyl-isoxazoles and their use as herbicides BAYER AGRICULTURE LTD (GB) 2007-08-08 EP disclosed
EP-0588357-B1 Isoxazoles derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-06-12 EP disclosed
EP-1156048-A1 Heteroaroyl-isoxazoles and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 2001-11-21 EP disclosed
CN-1045439-C New herbicides RHONE POULENC AGRICULTURE (GB) 1999-10-06 CN disclosed
US-5480857-A Herbicidal 4-heteroaroylisoxazole derivatives RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-01-02 US disclosed
CN-1085219-A New herbicides RHONE POULENC AGRICULTURE (GB) 1994-04-13 CN disclosed
EP-0588357-A1 Isoxazoles derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-03-23 EP disclosed