SCHEMBL3410909

SCHEMBL3410909

Cc1ccc(N(CC2(S(=O)(=O)c3ccccc3)Cc3ccccc3C2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.46

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
SCHEMBL3406757 0.77 SOAT1 (0.51) NLRP3
SCHEMBL10189418 0.75 SOAT2 (0.48) NLRP3
SCHEMBL3404773 0.74 SOAT2 (0.36)
SCHEMBL3410912 0.74 NLRP3 (0.43) NLRP3
SCHEMBL3404851 0.70 NLRP3 (0.41) NLRP3
SCHEMBL3409923 0.70 SOAT2 (0.39) NLRP3
SCHEMBL854439 0.69 SOAT2 (0.47) NLRP3
SCHEMBL855625 0.68 SOAT2 (0.52)
SCHEMBL3407860 0.68 NLRP3 (0.59) NLRP3
SCHEMBL3408628 0.67 SOAT1 (0.54) NLRP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200979-A1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2010-06-30 EP disclosed
WO-2009030752-A1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-12 WO disclosed