SCHEMBL168480

SCHEMBL168480

CCS(=O)(=O)c1ccc(C(C)(C)C(=O)OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.57
ELANE P08246 1/20 0.52
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL16880003 0.85 RORC (0.70) RORCELANECNR2MAPT
SCHEMBL8974321 0.82 CNR1 (0.54) ELANECNR1CNR2MAPT
SCHEMBL25516350 0.81 CA2 (0.51) CNR1CNR2MAPT
SCHEMBL13005177 0.81 ELANE (0.43) RORCELANECNR1CNR2MAPT
SCHEMBL176221 0.81 ELANE (0.52) RORCELANE
SCHEMBL2601862 0.77 BRS3 (0.50) RORCCNR1CNR2
SCHEMBL5877921 0.76 MAPT (0.50) CNR1CNR2MAPT
SCHEMBL16573638 0.75 PLK1 (0.53) MAPT
SCHEMBL1107149 0.74 CNR2 (0.57) CNR1CNR2MAPT
SCHEMBL3573740 0.74 CNR1 (0.53) ELANECNR1CNR2MAPT

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-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed