SCHEMBL4730172

SCHEMBL4730172

CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cc3c(cc2OC(F)(F)F)C(C)(C)c2ccc(F)cc2S3(O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 7/20 0.42
CCR8 P51685 1/20 0.41
BRD4 O60885 1/20 0.39
STS P08842 3/20 0.38
MMP13 P45452 1/20 0.38
WNT3 P56703 3/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.36

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
SCHEMBL4730171 0.94 SFRP1 (0.42) SFRP1CCR8BRD4STSMMP13
SCHEMBL4735477 0.85 DPP4 (0.36) SFRP1WNT3CYP3A4CYP2C19
SCHEMBL4734137 0.79 SFRP1 (0.43) SFRP1WNT3
SCHEMBL4732376 0.77 WNT3 (0.36) SFRP1BRD4WNT3
SCHEMBL4730846 0.77 DPP4 (0.39) SFRP1CCR8CYP3A4CYP2C19
SCHEMBL4732381 0.77 CCR8 (0.45) SFRP1CCR8BRD4STSMMP13
SCHEMBL4407578 0.76 CCR8 (0.56) SFRP1CCR8BRD4MMP13
SCHEMBL4732371 0.75 SFRP1 (0.50) SFRP1CCR8BRD4STSWNT3
SCHEMBL4735919 0.75 MCHR1 (0.51) SFRP1CCR8BRD4STSWNT3
SCHEMBL4883255 0.73 SFRP1 (0.59) SFRP1CCR8BRD4STSMMP13

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-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed