SCHEMBL4959784

SCHEMBL4959784

[C]1=CCc2cc3c(cc21)CCC3

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31

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
SCHEMBL15863817 0.95 CDC25B (0.32)
SCHEMBL1795462 0.71 GRIN2D (0.48) CA12CA1CA2CA7CA14
SCHEMBL30635627 0.68 CDC25B (0.48) CA12CA1CA2CA7CA14
SCHEMBL20681295 0.68 GRIN2D (0.46) CA12CA1CA2CA7CA14
SCHEMBL30120869 0.68 GRIN2D (0.46) CA12CA1CA2CA7CA14
SCHEMBL25202453 0.68 CDC25B (0.48) CA12CA1CA2CA7CA14
SCHEMBL1760720 0.64 TSHR (0.50) CA12CA1CA2CA7CA14
SCHEMBL9985331 0.63 RXRA (0.32)
SCHEMBL30450721 0.61 GRIN2D (0.40) CA12CA1CA2CA7CA14
SCHEMBL14035592 0.61 GRIN2D (0.40) CA12CA1CA2CA7CA14

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
CN-114401971-A Macrocyclic sulfonylurea derivatives as NLRP3 inhibitors 英夫拉索姆有限公司 2022-04-26 CN disclosed
CN-111417657-A Asymmetric ansa-metallocene catalyst compounds for the preparation of polyolefins having broad molecular weight distribution 埃克森美孚化学专利公司 2020-07-14 CN disclosed
EP-1891123-A1 PROCESS FOR THE COPOLYMERIZATION OF PROPYLENE Basell Polyolefine GmbH (DE) 2008-02-27 EP disclosed
WO-2006134046-A1 PROCESS FOR THE COPOLYMERIZATION OF PROPYLENE BASELL POLYOLEFINE GMBH (DE) 2006-12-21 WO disclosed