SCHEMBL8965945

SCHEMBL8965945

CN(O)C(=O)CCOC(C(=N)C1CCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 0.54
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL8965298 0.90 ALOX5 (0.60) ALOX5HDAC6
SCHEMBL8967160 0.82 ALOX5 (0.48) ALOX5HDAC6
SCHEMBL8966509 0.79 ALOX5 (0.55) ALOX5
SCHEMBL9431241 0.76 ALOX5 (0.77) ALOX5HDAC6
SCHEMBL9068707 0.75 ALOX5 (0.61) ALOX5HDAC6
SCHEMBL8803715 0.75 ALOX5 (0.70) ALOX5HDAC6
SCHEMBL8804106 0.75 ALOX5 (0.70) ALOX5HDAC6
SCHEMBL9430694 0.74 ALOX5 (0.64) ALOX5HDAC6
SCHEMBL8813498 0.74 ALOX5 (0.70) ALOX5HDAC6
SCHEMBL9474669 0.72 ALOX5 (0.64) 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