SCHEMBL8435239

SCHEMBL8435239

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
FFAR1 O14842 1/20 0.44
PPARA Q07869 2/20 0.43
CYP1A2 P05177 1/20 0.43
PPARG P37231 1/20 0.42
GSK3B P49841 1/20 0.41
BACE1 P56817 1/20 0.41
LTA4H P09960 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PTPRC P08575 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
MAPT P10636 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
SCHEMBL8895030 0.88 EPHX1 (0.46) CYP2C19POLBSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL15733043 0.85 MAOB (0.54) FFAR1PPARAPPARGLTA4HLMNA
SCHEMBL8522004 0.78 FFAR1 (0.51) FFAR1GSK3BBACE1LTA4H
SCHEMBL8522002 0.78 CYP2C19 (0.43) CYP2C19POLBSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL8435237 0.77 CHRNB2 (0.43) POLBSMN1; SMN2ALDH1A1RXRARXRB
SCHEMBL8435236 0.76 CYP2C19 (0.50) CYP2C19ALDH1A1FFAR1PPARAPPARG
SCHEMBL6388039 0.76 APP (0.54) SMN1; SMN2ALDH1A1NPC1RAB9APTPN2
SCHEMBL13242652 0.76 APP (0.54) SMN1; SMN2ALDH1A1NPC1RAB9APTPN2
SCHEMBL6525761 0.76 NR4A2 (0.66) POLBSMN1; SMN2ALDH1A1RXRARXRB
SCHEMBL6743494 0.76 RXRA (0.49) CYP2C19SMN1; SMN2RXRARXRBFFAR1

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