SCHEMBL4783555

SCHEMBL4783555

CCOC(=O)CCc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1C(F)(F)F)C2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.51
EPHX2 P34913 1/20 0.46
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GRIA2 P42262 2/20 0.40
HIF1A Q16665 1/20 0.40
CASR P41180 1/20 0.40
TBXA2R P21731 1/20 0.39
SFRP1 Q8N474 2/20 0.39
WNT3 P56703 1/20 0.38

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
SCHEMBL4905145 0.93 NR1H2 (0.43) NR1H2EPHX2CASRTBXA2R
SCHEMBL4784618 0.90 NR1H2 (0.46) NR1H2EPHX2GRIA2CASR
SCHEMBL4784213 0.89 NR1H2 (0.42) NR1H2EPHX2GRIA2TBXA2R
SCHEMBL4782179 0.88 NR1H2 (0.44) NR1H2EPHX2GRIA2
SCHEMBL4782985 0.87 NR1H2 (0.44) NR1H2EPHX2GRIA2CASR
SCHEMBL4784068 0.87 NR1H2 (0.44) NR1H2EPHX2
SCHEMBL4781127 0.87 NR1H2 (0.51) NR1H2EPHX2POLBRXFP1GRIA2
SCHEMBL4785575 0.86 NR1H2 (0.43) NR1H2EPHX2CASR
SCHEMBL4784693 0.85 NR1H2 (0.44) NR1H2EPHX2
SCHEMBL4784492 0.85 NR1H2 (0.42) NR1H2EPHX2

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