SCHEMBL2231185

SCHEMBL2231185

CCCC(CC)(CCCC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.46
GPR84 Q9NQS5 7/20 0.45
PPARG P37231 7/20 0.45
PPARD Q03181 7/20 0.45
PPARA Q07869 7/20 0.45
HDAC11 Q96DB2 5/20 0.45
TSHR P16473 4/20 0.45
PTPN1 P18031 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
MEN1 O00255 2/20 0.45
SLC22A6 Q4U2R8 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
ESR1 P03372 1/20 0.45
PDE4A P27815 1/20 0.45

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
SCHEMBL18343637 0.94 AKR1B1 (0.45) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL502750 0.92 AKR1B1 (0.50) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL41106 0.90 ALDH1A1 (0.47) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL4900334 0.89 GPR84 (0.57) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL9540348 0.88 ALDH1A1 (0.50) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL27476414 0.88 ALDH1A1 (0.45) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL9179907 0.87 CYP4F2 (0.42) AKR1B1GPR84TSHRALDH1A1KMT2A
SCHEMBL9181632 0.87 CYP4F2 (0.38) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL11122205 0.86 AKR1B1 (0.54) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL9183282 0.85 CYP4F2 (0.37) 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