SCHEMBL5780893

SCHEMBL5780893

CC(=O)OC(C)C(=O)c1ccc(Br)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.40
UTS2R Q9UKP6 1/20 0.40
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
MAPT P10636 6/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL5781061 0.83 GSK3B (0.42) POLBKMT2AUTS2RFLT1FLT4
SCHEMBL5781059 0.83 GSK3B (0.42) POLBKMT2AUTS2RFLT1FLT4
SCHEMBL5781380 0.82 CES2 (0.43) TDP1KMT2AMAPTMEN1LMNA
SCHEMBL31359583 0.82 CES2 (0.43) TDP1KMT2AMAPTMEN1LMNA
SCHEMBL5781385 0.82 CES2 (0.43) TDP1KMT2AMAPTMEN1LMNA
SCHEMBL5885253 0.80 FLT1 (0.43) POLBKMT2AUTS2RFLT1FLT4
SCHEMBL27539032 0.80 PTGDR2 (0.34) TDP1KMT2AMEN1LMNATSHR
SCHEMBL1922661 0.78 FLT1 (0.42) POLBKMT2AUTS2RFLT1FLT4
SCHEMBL117133 0.77 MAPT (0.49) KMT2AFLT1FLT4KDRMAPT
SCHEMBL29420640 0.77 MAPT (0.49) KMT2AFLT1FLT4KDRMAPT

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-1397353-B1 2-(2,6-DISUBSTITUTED PHENYL)-4-ARYL-5-ALKYL-1,3-OXAZOLINE COMPOUNDS USEFUL AS INSECTICIDES AND ACARICIDES DOW AGROSCIENCES LLC (US) 2006-10-25 EP disclosed
EP-1397353-A1 2-(2,6-DISUBSTITUTED PHENYL)-4-ARYL-5-ALKYL-1,3-OXAZOLINE COMPOUNDS USEFUL AS INSECTICIDES AND ACARICIDES Dow Agrosciences LLC (US) 2004-03-17 EP disclosed
US-6573286-B1 Oxazoline compounds having a 2,6-disubstituted-phenyl group in the 2-position, an aryl or heteroaryl group in the 4-position and an alkyl group in the 5-position are effective in controlling aphids, insects and mites. DOW AGROSCIENCES LLC 2003-06-03 US disclosed
WO-2003000669-A1 2-(2,6-DISUBSTITUTED PHENYL)-4-ARYL-5-ALKYL-1,3-OXAZOLINE COMPOUNDS USEFUL AS INSECTICIDES AND ACARICIDES DOW AGROSCIENCES LLC (US) 2003-01-03 WO disclosed