SCHEMBL9729981

SCHEMBL9729981

CN(C)C(=O)N(O)c1ccoc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.38
TRPA1 O75762 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL11129380 0.71 NPSR1 (0.50) CYP3A4
SCHEMBL827307 0.69
SCHEMBL19483167 0.67 MAPT (0.50)
SCHEMBL1628915 0.66
SCHEMBL827424 0.65 TRPA1 (0.46) ALOX5TRPA1CYP3A4
SCHEMBL2008149 0.65
SCHEMBL28573769 0.65 ALOX5 (0.47) ALOX5TRPA1HCAR2CYP3A4
SCHEMBL2000142 0.65
SCHEMBL11813818 0.65 HPGD (0.53) ALOX5CYP3A4
SCHEMBL11815109 0.64 APEX1 (0.46) CYP3A4

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
US-5112848-A Antiasthmatics and antiarthritic agents ABBOTT LABORATORIES (US) 1992-05-12 US disclosed