SCHEMBL5257271

SCHEMBL5257271

CCCOc1cccc(O)c1-c1cc(C2CCCNC2)c2c(n1)NC(=O)C(C(=O)O)C2

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.59

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
SCHEMBL4941437 0.92 IKBKB (0.57) IKBKB
SCHEMBL5253960 0.90 IKBKB (0.72) IKBKB
SCHEMBL4938349 0.85 IKBKB (0.63) IKBKB
SCHEMBL5252161 0.85 IKBKB (0.57) IKBKB
SCHEMBL4946395 0.84 IKBKB (0.68) IKBKB
SCHEMBL4613934 0.84 IKBKB (0.81) IKBKB
SCHEMBL4947170 0.84 IKBKB (0.71) IKBKB
SCHEMBL27583738 0.81 IKBKB (0.65) IKBKB
SCHEMBL7170770 0.80 IKBKB (0.54) IKBKB
SCHEMBL14046403 0.77 IKBKB (0.80) IKBKB

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
EP-1326856-B1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY BAYER HEALTHCARE AG (DE) 2007-12-19 EP claimed