SCHEMBL2232183

SCHEMBL2232183

CCCCC(CC)C(CCC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
MAPK1 P28482 1/20 0.47
AKR1B1 P15121 1/20 0.43
PLA2G2C Q5R387 1/20 0.42
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL9540347 0.86 CYP1A2 (0.48) TDP1
SCHEMBL4900330 0.86 FFAR4 (0.51) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL2269027 0.85 CA2 (0.50) CA2MAPK1GPR84PPARDALDH1A1
SCHEMBL27998664 0.84 FFAR4 (0.59) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL573130 0.84 FFAR4 (0.59) AKR1B1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL9956864 0.84 FFAR4 (0.59) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL1080376 0.84 FFAR4 (0.59) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL10671991 0.83 AKR1B1 (0.50) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL20564413 0.81 ALDH1A1 (0.44) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL14360042 0.81 AKR1B1 (0.41) AKR1B1GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348833-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-08-03 EP disclosed
EP-2346322-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040835-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed
WO-2010040834-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed