SCHEMBL28626482

SCHEMBL28626482

CC(=O)Nc1c(C(C)C)cc(C#CC2CCCCC2)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
GAA P10253 1/20 0.37
OGA O60502 4/20 0.36
PTGES O14684 2/20 0.35
DHODH Q02127 1/20 0.35
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
PAX8 Q06710 1/20 0.33
TRPV3 Q8NET8 1/20 0.33

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
SCHEMBL21962096 0.76 FFAR1 (0.47) FFAR1FFAR4HSP90AA1HSP90AB1PTGES
SCHEMBL22014946 0.75 FFAR1 (0.40) FFAR1FFAR4HSP90AA1HSP90AB1PTGES
SCHEMBL21962332 0.75 FFAR1 (0.40) FFAR1FFAR4HSP90AA1HSP90AB1PTGES
SCHEMBL21962227 0.73 FFAR1 (0.37) FFAR1FFAR4HSP90AA1HSP90AB1PTGES
SCHEMBL22012206 0.72 GAA (0.46) GAA
SCHEMBL31484811 0.70 FFAR1 (0.38) FFAR1FFAR4HSP90AA1HSP90AB1PTGES
SCHEMBL13592557 0.68 GAA (0.52) GAA
SCHEMBL27419002 0.68 FABP3 (0.52) GAA
SCHEMBL20915178 0.67 GAA (0.50) HSP90AB1GAA
SCHEMBL11238385 0.66 TDP1 (0.43) FFAR1FFAR4

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
CN-113227055-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-06 CN disclosed