SCHEMBL5777960

SCHEMBL5777960

C/C=C(\OC(C)=O)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
RAB9A P51151 4/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
RECQL P46063 1/20 0.41
CYP1A2 P05177 2/20 0.40
MAOB P27338 2/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
GSK3B P49841 2/20 0.39
OGG1 O15527 1/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL5777965 1.00 CES2 (0.45) CES2CES1RAB9ALMNAMAPT
SCHEMBL5777969 1.00 CES2 (0.45) CES2CES1RAB9ALMNAMAPT
SCHEMBL9848566 0.80 ELANE (0.46) CES2CES1LMNAMAPTKMT2A
SCHEMBL29180078 0.80 ELANE (0.46) CES2CES1LMNAMAPTKMT2A
SCHEMBL9848557 0.80 ELANE (0.46) CES2CES1LMNAMAPTKMT2A
SCHEMBL4667898 0.79 CES2 (0.53) CES2CES1RAB9ALMNAMAPT
SCHEMBL29000045 0.78 CES2 (0.50) CES2CES1RAB9ALMNAMAPT
SCHEMBL17187852 0.69 CES2 (0.62) CES2CES1RAB9ALMNAMAPT
SCHEMBL20102 0.69 CES2 (0.62) CES2CES1RAB9ALMNAMAPT
SCHEMBL8743220 0.68 CES2 (0.48) CES2CES1RAB9ALMNAMAPT

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 2 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
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