SCHEMBL9308405

SCHEMBL9308405

CCCCC/C(CC)=N\O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
AKR1B1 P15121 1/20 0.40
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
PDE4A P27815 1/20 0.39

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
SCHEMBL167679 1.00 CES2 (0.42) CES2CES1AKR1B1GPR84PPARG
SCHEMBL167678 1.00 CES2 (0.42) CES2CES1AKR1B1GPR84PPARG
SCHEMBL10970511 0.97 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8489013 0.97 CES2 (0.44) CES2CES1GPR84PPARGPPARD
Hydrochloric Acid SCHEMBL8490645 0.97 CES2 (0.40) CES2CES1AKR1B1GPR84PPARG
SCHEMBL8632755 0.97 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL22115590 0.97 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL9669195 0.97 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8489012 0.97 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8632750 0.97 CES2 (0.44) CES2CES1GPR84PPARGPPARD

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-0620247-A1 Stabilized compositions of mixed metal carboxylates THE LUBRIZOL CORPORATION (US) 1994-10-19 EP disclosed
US-5322872-A Containing oxime complexing agent THE LUBRIZOL CORPORATION (US) 1994-06-21 US disclosed