SCHEMBL6603422

SCHEMBL6603422

O=CC(O)Cc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.44
ACACB O00763 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TGM2 P21980 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
PDPK1 O15530 1/20 0.37

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
SCHEMBL24320224 1.00 MME (0.44) MMEACACBPPARGPPARATGM2
SCHEMBL17183114 0.81 SLC7A5 (0.47)
SCHEMBL7980662 0.81 SLC7A5 (0.47)
SCHEMBL12226226 0.79 TRPA1 (0.46) MMEPPARGPPARAFFAR1
SCHEMBL122782 0.78 EPHX1 (0.50)
SCHEMBL5561130 0.78 EPHX1 (0.50)
SCHEMBL514290 0.78 EPHX1 (0.50)
SCHEMBL20504575 0.77 MME (0.41) MMEACACBPPARGPPARATGM2
SCHEMBL2237171 0.76 CYP1A2 (0.42) PPARGPPARA
SCHEMBL10974742 0.75 MME (0.40) MMEACACBPPARGPPARATGM2

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-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
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