SCHEMBL8224464

SCHEMBL8224464

CCCCCOC(CO)C(O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.41
USP2 O75604 1/20 0.41
GPR84 Q9NQS5 3/20 0.40
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PLA2G4B P0C869 1/20 0.37
KDM4E B2RXH2 1/20 0.37
DUSP3 P51452 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 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
SCHEMBL12987705 0.81 CES2 (0.44) KDM4EDUSP3MEN1KMT2A
SCHEMBL11513135 0.79 PDE4A (0.40) TSHR
SCHEMBL9806490 0.79 PDE4A (0.40) MGAMTP53TSHR
SCHEMBL29169801 0.78 USP2 (0.50) MGAMUSP2ALDH1A1CNR1CNR2
SCHEMBL29169842 0.77 USP2 (0.50) MGAMUSP2ALDH1A1CNR1CNR2
SCHEMBL11150083 0.77 GPR84 (0.50) GPR84FFAR1PLA2G4BTP53TSHR
SCHEMBL3345590 0.77 GPR84 (0.50) GPR84FFAR1PLA2G4BTP53TSHR
SCHEMBL6120610 0.76 GPR84 (0.46) GPR84FFAR1PLA2G4BTP53TSHR
SCHEMBL7773504 0.76 GPR84 (0.46) GPR84FFAR1PLA2G4BTP53TSHR
SCHEMBL27681636 0.76 GPR84 (0.46) GPR84FFAR1PLA2G4BTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1079798-C 3 -aryl -tetronic acid derivatives, the production thereof and the use thereof as anti-parasitic agents BAYER AG (DE) 2002-02-27 CN disclosed
US-6051723-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-04-18 US disclosed
US-6051723-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-04-18 US disclosed
US-5830825-A INSECTICIDES, HERBICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
US-5830825-A INSECTICIDES, HERBICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
CN-1175257-A 3-aryl-tetronic acid derivatives, their production and use as pesticides BAYER AG (DE) 1998-03-04 CN disclosed