SCHEMBL4784130

SCHEMBL4784130

CC(C)c1ccccc1-c1ccc(S(=O)(=O)NC2Cc3ccc(C=CC(=O)O)cc3C2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.43
APOB P04114 4/20 0.41
MTTP P55157 4/20 0.41
CYP2C19 P33261 1/20 0.39
GRIA2 P42262 1/20 0.39
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR1H3 Q13133 1/20 0.36
WNT3 P56703 1/20 0.35
SFRP1 Q8N474 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL4784118 1.00 NR1H2 (0.43) NR1H2APOBMTTPCYP2C19GRIA2
SCHEMBL4782252 0.90 NR1H2 (0.46) NR1H2APOBMTTPKDM4EPOLB
SCHEMBL4782255 0.90 NR1H2 (0.46) NR1H2APOBMTTPKDM4EPOLB
SCHEMBL4780011 0.90 NR1H2 (0.45) NR1H2APOBMTTPKDM4EPOLB
SCHEMBL4780014 0.90 NR1H2 (0.45) NR1H2APOBMTTPKDM4EPOLB
SCHEMBL4780662 0.89 NR1H2 (0.43) NR1H2APOBMTTPCYP2C19GRIA2
SCHEMBL4782122 0.89 NR1H2 (0.43) NR1H2APOBMTTPKDM4EPOLB
SCHEMBL4782116 0.89 NR1H2 (0.43) NR1H2APOBMTTPKDM4EPOLB
SCHEMBL4780660 0.89 NR1H2 (0.43) NR1H2APOBMTTPCYP2C19GRIA2
SCHEMBL4782468 0.88 POLB (0.46) NR1H2APOBMTTPKDM4EPOLB

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
WO-2008061006-A1 SUBSTITUTED INDAN-2-YL, TETRAHYDRONAPHTHALEN-2-YL, OR DIHYDR0-2H-CHR0MEN-3-YL ARYLSULFONAMIDES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed