SCHEMBL4784693

SCHEMBL4784693

CCOC(=O)CCc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(-c3cccs3)cc1C(F)(F)F)C2

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.44
APOB P04114 4/20 0.41
MTTP P55157 4/20 0.41
NR1H3 Q13133 1/20 0.40
SDHB P21912 1/20 0.40
EPHX2 P34913 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
SCHEMBL4784981 0.89 NR1H2 (0.43) NR1H2APOBMTTPNR1H3
SCHEMBL4783059 0.88 GRIA2 (0.44) NR1H2APOBMTTPEPHX2
SCHEMBL4784618 0.88 NR1H2 (0.46) NR1H2APOBMTTPEPHX2
SCHEMBL4782179 0.87 NR1H2 (0.44) NR1H2APOBMTTPEPHX2
SCHEMBL4782985 0.86 NR1H2 (0.44) NR1H2APOBMTTPEPHX2
SCHEMBL4784068 0.86 NR1H2 (0.44) NR1H2APOBMTTPNR1H3EPHX2
SCHEMBL4785575 0.85 NR1H2 (0.43) NR1H2APOBMTTPEPHX2
SCHEMBL4783555 0.85 NR1H2 (0.51) NR1H2EPHX2
SCHEMBL4784213 0.85 NR1H2 (0.42) NR1H2EPHX2
SCHEMBL4784492 0.84 NR1H2 (0.42) NR1H2APOBMTTPEPHX2

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