SCHEMBL8965059

SCHEMBL8965059

O=C(O)c1ccc(/C=N\O)c(C(c2ccc(OCc3ccc4ccccc4n3)cc2)C2CCCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.64
ALOX5AP P20292 1/20 0.60
HDAC6 Q9UBN7 1/20 0.59
GPBAR1 Q8TDU6 1/20 0.54

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
SCHEMBL8799899 1.00 ALOX5 (0.64) ALOX5ALOX5APHDAC6GPBAR1
SCHEMBL8965242 0.88 ALOX5 (0.60) ALOX5HDAC6GPBAR1
SCHEMBL8965251 0.83 ALOX5 (0.60) ALOX5HDAC6GPBAR1
SCHEMBL8799903 0.78 ALOX5 (1.00) ALOX5
SCHEMBL8799896 0.78 ALOX5 (1.00) ALOX5
SCHEMBL8800551 0.77 ALOX5 (0.77) ALOX5HDAC6GPBAR1
SCHEMBL2109295 0.76 ALOX5 (1.00) ALOX5HDAC6
SCHEMBL7818344 0.76 ALOX5 (1.00) ALOX5HDAC6
SCHEMBL2110833 0.76 ALOX5 (1.00) ALOX5HDAC6
SCHEMBL9123409 0.76 ALOX5 (1.00) ALOX5HDAC6

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-5512581-A ANTIINFLAMMATORY AGENT ABBOTT LABORATORIES (US) 1996-04-30 US disclosed