SCHEMBL7994429

SCHEMBL7994429

COc1cccc2c1ncc1c(=O)n(-c3ccc(O)c(O)c3)c(=O)n(C3CCCC3)c12

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNF P01375 20/20 0.78
LITAF Q99732 20/20 0.78
PDE4B Q07343 4/20 0.78
PDE4D Q08499 4/20 0.78

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
SCHEMBL8003242 0.93 TNF (0.80) TNFLITAFPDE4BPDE4D
SCHEMBL7995474 0.90 TNF (0.85) TNFLITAFPDE4BPDE4D
SCHEMBL2015231 0.89 TNF (0.81) TNFLITAFPDE4BPDE4D
SCHEMBL2018697 0.89 TNF (0.84) TNFLITAFPDE4BPDE4D
SCHEMBL2019512 0.88 TNF (1.00) TNFLITAFPDE4BPDE4D
SCHEMBL2016579 0.88 TNF (1.00) TNFLITAFPDE4BPDE4D
SCHEMBL2014882 0.88 TNF (1.00) TNFLITAFPDE4BPDE4D
SCHEMBL2021197 0.88 TNF (1.00) TNFLITAFPDE4BPDE4D
SCHEMBL2016764 0.87 TNF (0.76) TNFLITAFPDE4BPDE4D
SCHEMBL2017319 0.87 TNF (0.81) TNFLITAFPDE4BPDE4D

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-2009094528-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-α SYNTHESIS AND AS PDE4 INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2009-07-30 WO disclosed