SCHEMBL4905145

SCHEMBL4905145

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.43
CASR P41180 1/20 0.41
TBXA2R P21731 1/20 0.40
EPHX2 P34913 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 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
SCHEMBL4783555 0.93 NR1H2 (0.51) NR1H2CASRTBXA2REPHX2
SCHEMBL4913354 0.89 TBXA2R (0.39) NR1H2CASRTBXA2REPHX2CYP4F2
SCHEMBL4784456 0.86 NR1H2 (0.42) NR1H2CASRTBXA2RCYP4F2CYP4A11
SCHEMBL4784618 0.85 NR1H2 (0.46) NR1H2CASREPHX2
SCHEMBL4784213 0.83 NR1H2 (0.42) NR1H2TBXA2REPHX2
SCHEMBL4782179 0.82 NR1H2 (0.44) NR1H2EPHX2
SCHEMBL4851567 0.82 NR1H2 (0.43) NR1H2TBXA2R
SCHEMBL4782985 0.82 NR1H2 (0.44) NR1H2CASREPHX2
SCHEMBL4784068 0.82 NR1H2 (0.44) NR1H2EPHX2
SCHEMBL4785575 0.81 NR1H2 (0.43) NR1H2CASREPHX2

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