SCHEMBL4442205

SCHEMBL4442205

CCCC(OC)C(=O)O.COCCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
AKR1B1 P15121 1/20 0.39
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 2/20 0.39
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 7/20 0.38
PPARD Q03181 7/20 0.38
PPARA Q07869 7/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 5/20 0.38
PTPN1 P18031 3/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
MEN1 O00255 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38
PDE4A P27815 1/20 0.38

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
Hexanoate SCHEMBL935031 0.86 AKR1B1 (0.57) ALDH1A1AKR1B1FFAR4FFAR1GPR84
SCHEMBL10305019 0.82
SCHEMBL10304982 0.82
SCHEMBL25516 0.82
SCHEMBL8984848 0.81 CHRM1 (0.39) ALDH1A1PPARGPPARDPPARATSHR
SCHEMBL4358234 0.80 TSHR (0.45) ALDH1A1AKR1B1FFAR4FFAR1GPR84
SCHEMBL10347459 0.78 CA2 (0.47) FFAR1GPR84PPARGPPARDPPARA
SCHEMBL82451 0.78
SCHEMBL31326241 0.77 ALDH1A1 (0.50) ALDH1A1FFAR4FFAR1GPR84PPARG
SCHEMBL8080753 0.76 CYP1A2 (0.50)

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-2029657-A2 POWDER COATING MATERIALS WITH HIGH-FUNCTIONALITY, HIGHLY BRANCHED OR HYPERBRANCHED POLYCARBONATES BASF Coatings AG (DE) 2009-03-04 EP disclosed
WO-2007134736-A2 POWDER COATING MATERIALS WITH HIGH-FUNCTIONALITY, HIGHLY BRANCHED OR HYPERBRANCHED POLYCARBONATES BASF COATINGS AG (DE) 2007-11-29 WO disclosed