SCHEMBL7616902

SCHEMBL7616902

CC(C)c1ccc(Cl)c(C(C)C)c1N=C=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL159676 0.81 CYP3A4 (0.37) GABRA1GABRB2TDP1
SCHEMBL20609875 0.79 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL21810673 0.79 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL752311 0.78 GABRA1 (0.41) GABRA1GABRB2
SCHEMBL9623520 0.77 GABRA1 (0.47) GABRA1GABRB2MAPK1TDP1
SCHEMBL194319 0.76 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL20625199 0.76 GABRA1 (0.32) GABRA1GABRB2MAPK1TDP1
SCHEMBL112208 0.75 CYP3A4 (0.38) GABRA1GABRB2TDP1
SCHEMBL10585418 0.74 CYP3A4 (0.50) GABRA1GABRB2TDP1
SCHEMBL191769 0.74 GABRA1 (0.50) GABRA1GABRB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214087-A1 COMBINATION TREATMENT WITH IL-1RA AND COMPOUNDS THAT INHIBIT IL-1 PROCESSING AND RELEASE Pfizer Products Inc. (US) 2002-06-19 EP disclosed
WO-2001019390-A1 COMBINATION TREATMENT WITH IL-1RA AND DIARYL SULPHONYL UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-03-22 WO disclosed