SCHEMBL9709607

SCHEMBL9709607

C=CCC(CCCC#N)COS(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.32

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
SCHEMBL25410314 0.80 KDM4E (0.36)
SCHEMBL9911084 0.74 ALDH1A1 (0.35)
SCHEMBL29601357 0.70 CACNA2D1 (0.30)
SCHEMBL9709906 0.70 TSHR (0.34)
SCHEMBL9709564 0.70 ALDH1A1 (0.38)
SCHEMBL19285468 0.68 CA1 (0.40)
SCHEMBL19285469 0.68 CA1 (0.40)
SCHEMBL23671019 0.68 CA1 (0.40)
SCHEMBL9500520 0.67 TSHR (0.61) NLRP3
SCHEMBL9709901 0.67 SLC1A2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed
US-5025025-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed