SCHEMBL1838469

SCHEMBL1838469

CC(=O)CC=Cc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.57
TNFRSF1A P19438 1/20 0.47
TRPA1 O75762 2/20 0.46
PAM P19021 1/20 0.46
NFE2L2 Q16236 3/20 0.45
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
LMNA P02545 3/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 2/20 0.42
HPGD P15428 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.41
CYP4F2 P78329 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
SCHEMBL2608077 0.82 FOS (0.50) PAMNFE2L2GRIK1GRIK2LMNA
SCHEMBL5311091 0.82 PAM (0.68) HSD11B1TNFRSF1APAMNFE2L2GRIK1
SCHEMBL5311088 0.82 PAM (0.68) HSD11B1TNFRSF1APAMNFE2L2GRIK1
SCHEMBL18598225 0.81 HSD11B1 (0.53) HSD11B1TNFRSF1ATRPA1NFE2L2GRIK1
SCHEMBL9027791 0.81 HSD11B1 (0.53) HSD11B1TNFRSF1ATRPA1NFE2L2GRIK1
SCHEMBL31396664 0.81 HSD11B1 (0.52) HSD11B1TNFRSF1APAMNFE2L2GRIK1
SCHEMBL8984593 0.81 CYP1A2 (0.57) PAMGRIK1GRIK2LMNAMAOB
SCHEMBL5727634 0.81 CYP1A2 (0.57) PAMGRIK1GRIK2LMNAMAOB
SCHEMBL827256 0.80 PAM (0.70) PAMLMNAMAOBMAPTMAOA
SCHEMBL827257 0.80 PAM (0.70) PAMLMNAMAOBMAPTMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321287-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
WO-2010010014-A1 4,5-DIHYDRO-OXAZOL-2-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
EP-1347952-A4 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2005-10-26 EP disclosed
EP-1347952-A1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES Dow AgroSciences LLC (US) 2003-10-01 EP disclosed
WO-2002046142-A1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2002-06-13 WO disclosed