SCHEMBL9660903

SCHEMBL9660903

CCCCCS(=O)(=O)NCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.45
CA2 P00918 2/20 0.41
FAAH O00519 2/20 0.40
EPHX1 P07099 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL23905111 0.98 RELA (0.47) RELACA2FAAHEPHX1
SCHEMBL12194986 0.98 RELA (0.47) RELACA2FAAHEPHX1
SCHEMBL13398957 0.98 RELA (0.47) RELACA2FAAHEPHX1
SCHEMBL12194930 0.94 RELA (0.39) RELACA2EPHX1CA12CA1
SCHEMBL12988956 0.85 GRIA4 (0.42) RELACA2EPHX1CA12CA1
SCHEMBL14336087 0.84 RELA (0.42) RELACA2FAAH
SCHEMBL17771175 0.81 ALDH1A1 (0.34) CA12CA7CA14
SCHEMBL6831272 0.79 CA12 (0.33) CA12CA7CA14
SCHEMBL12137065 0.79 CA12 (0.33) CA12CA7CA14
SCHEMBL7432483 0.78 RELA (0.50) RELACA2FAAHCA12CA1

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-0494973-A1 COMPOUNDS USEFUL FOR MEASURING LOW LEVELS OF SULFONYLUREAS BY IMMUNOASSAY E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-22 EP disclosed
WO-1991004967-A1 COMPOUNDS USEFUL FOR MEASURING LOW LEVELS OF SULFONYLUREAS BY IMMUNOASSAY E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-18 WO disclosed