SCHEMBL9207344

SCHEMBL9207344

CCOC(=O)C(CC)(C(=O)O)C(C)CCCCCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.41
FFAR1 O14842 2/20 0.41
ALDH1A1 P00352 3/20 0.40
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
PTPN1 P18031 3/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX15 P16050 1/20 0.37
PDE4A P27815 1/20 0.37
KMT2A Q03164 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
SCHEMBL7640868 0.82 MMP8 (0.36) ALDH1A1TDP1MEN1KMT2AHSD17B10
SCHEMBL11815063 0.77 MMP8 (0.33) MEN1KMT2A
SCHEMBL27998693 0.73 FFAR4 (0.49) FFAR4FFAR1ALDH1A1GPR84PPARG
SCHEMBL8013777 0.73 MMP8 (0.39) ALDH1A1TDP1MEN1ALOX15KMT2A
SCHEMBL27998489 0.72 FFAR4 (0.47) FFAR4FFAR1ALDH1A1GPR84PPARG
SCHEMBL7047972 0.71 ACE2 (0.44) FFAR4FFAR1GPR84PPARD
SCHEMBL11727672 0.70 FFAR4 (0.47) FFAR4FFAR1ALDH1A1GPR84PPARG
SCHEMBL7530500 0.70 FFAR4 (0.52) FFAR4FFAR1ALDH1A1GPR84PPARG
SCHEMBL11042683 0.70 FFAR4 (0.52) FFAR4FFAR1ALDH1A1GPR84PPARG
SCHEMBL29138962 0.70 FFAR4 (0.47) FFAR4FFAR1ALDH1A1GPR84PPARG

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
US-5414085-A Barbiturate derivatives and protein and polypeptide barbiturate derivative conjugates and labels BIOSITE DIAGNOSTICS, INC. (US) 1995-05-09 US disclosed
EP-0635013-A4 NOVEL BARBITURATE DERIVATIVES AND PROTEIN AND POLYPEPTIDE BARBITURATE DERIVATIVE CONJUGATES AND LABELS. BIOSITE DIAGNOSTICS INC (US) 1995-03-22 EP disclosed
EP-0635013-A1 NOVEL BARBITURATE DERIVATIVES AND PROTEIN AND POLYPEPTIDE BARBITURATE DERIVATIVE CONJUGATES AND LABELS BIOSITE DIAGNOSTICS INC. (US) 1995-01-25 EP disclosed
WO-1993020064-A1 NOVEL BARBITURATE DERIVATIVES AND PROTEIN AND POLYPEPTIDE BARBITURATE DERIVATIVE CONJUGATES AND LABELS BIOSITE DIAGNOSTICS INCORPORATED (US) 1993-10-14 WO disclosed