SCHEMBL5315650

SCHEMBL5315650

CCCCC(CCCC(=O)O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.52
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 5/20 0.50
PTPN1 P18031 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL11805076 0.94 FFAR4 (0.56) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL19580227 0.92 FFAR4 (0.59) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL11805570 0.92 AKR1B1 (0.46) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL9489327 0.92 ALDH1A1 (0.47) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL8982897 0.89 FFAR4 (0.65) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL8982700 0.89 FFAR4 (0.65) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL8982823 0.89 FFAR4 (0.65) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL8982709 0.89 FFAR4 (0.65) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL8982732 0.89 FFAR4 (0.65) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL8982898 0.89 FFAR4 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007068352-A1 A USE OF BARBITURIC ACID DERIVATIVES AS HERBICIDAL EFFICACY-ENHANCING AGENTS OR HERBICIDAL AGENTS AND PROCESS FOR THEIR PREPARATION BAYER CROPSCIENCE AG (DE) 2007-06-21 WO disclosed