SCHEMBL8522004

SCHEMBL8522004

C=Cc1ccc(COc2ccc(CSC(CCC(=O)O)SCc3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.51
FFAR4 Q5NUL3 3/20 0.51
LTA4H P09960 3/20 0.47
MMP12 P39900 1/20 0.46
GSK3B P49841 2/20 0.45
BACE1 P56817 2/20 0.45
ALOX5 P09917 1/20 0.44
EPOR P19235 1/20 0.42
AKR1B1 P15121 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
SCHEMBL8522002 0.80 CYP2C19 (0.43) FFAR1FFAR4MMP12GSK3BBACE1
SCHEMBL8435236 0.79 CYP2C19 (0.50) FFAR1FFAR4GSK3BBACE1
SCHEMBL8435239 0.78 CYP2C19 (0.44) FFAR1LTA4HGSK3BBACE1
SCHEMBL763259 0.76 LMNA (0.60) GSK3BBACE1ALOX5
SCHEMBL8522000 0.73 PPARG (0.51) FFAR1FFAR4GSK3BBACE1ALOX5
SCHEMBL2516876 0.73 APP (0.58) FFAR1GSK3BBACE1
SCHEMBL9331841 0.73 ALDH1A1 (0.68) GSK3BBACE1
SCHEMBL1480744 0.72 LMNA (0.55) MMP12GSK3BBACE1
SCHEMBL8745182 0.72 PPARA (0.41) FFAR1FFAR4ALOX5
SCHEMBL6388039 0.71 APP (0.54)

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
US-5888723-A SENSITIVE HYBRIDIZATION ASSAY USING NUCLEIC ACID REAGENT COMPOSED OF OLIGONUCLEOTIDES COVALENTLY ATTACHED TO POLYMER PARTICLES WHICH ARE ADHERED TO SUPPORT USING WATER INSOLUBLE ADHESIVE; LOW BACKGROUND JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1999-03-30 US disclosed