SCHEMBL8522002

SCHEMBL8522002

C=Cc1ccc(COc2ccc(CSC(CCSCc3ccccc3)C(=O)O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GSK3B P49841 2/20 0.43
BACE1 P56817 2/20 0.43
MMP2 P08253 2/20 0.42
MMP3 P08254 2/20 0.42
MMP9 P14780 2/20 0.42
MMP13 P45452 2/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
MMP12 P39900 1/20 0.41
MAOB P27338 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CYP1A2 P05177 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40

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
SCHEMBL8522004 0.80 FFAR1 (0.51) GSK3BBACE1MMP12FFAR1FFAR4
SCHEMBL8435236 0.79 CYP2C19 (0.50) CYP2C19ALDH1A1GSK3BBACE1PPARG
SCHEMBL8435239 0.78 CYP2C19 (0.44) CYP2C19ALDH1A1POLBCYP2C9SMN1; SMN2
SCHEMBL763259 0.74 LMNA (0.60) CYP2C19ALDH1A1SMN1; SMN2GSK3BBACE1
SCHEMBL8745182 0.72 PPARA (0.41) CYP2C19ALDH1A1PPARGPPARAFFAR1
SCHEMBL8522000 0.71 PPARG (0.51) ALDH1A1SMN1; SMN2GSK3BBACE1PPARG
SCHEMBL2516876 0.71 APP (0.58) CYP2C19ALDH1A1SMN1; SMN2GSK3BBACE1
SCHEMBL15733043 0.71 MAOB (0.54) PPARGPPARAMAOBFFAR1FFAR4
SCHEMBL9331841 0.71 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2GSK3BBACE1PPARG
SCHEMBL8435170 0.70 ALDH1A1 (0.58) CYP2C19ALDH1A1POLBCYP2C9SMN1; SMN2

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