SCHEMBL8965242

SCHEMBL8965242

O=C(O)c1ccc(C=NO)c(C(CC2CCCCC2)c2ccc(OCc3ccc4ccccc4n3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.60
HDAC6 Q9UBN7 1/20 0.54
GPBAR1 Q8TDU6 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
SCHEMBL8965059 0.88 ALOX5 (0.64) ALOX5HDAC6GPBAR1
SCHEMBL8799899 0.88 ALOX5 (0.64) ALOX5HDAC6GPBAR1
SCHEMBL8965347 0.84 ALOX5 (0.48) ALOX5HDAC6
SCHEMBL8965411 0.83 ALOX5 (0.47) ALOX5HDAC6GPBAR1
SCHEMBL8965251 0.80 ALOX5 (0.60) ALOX5HDAC6GPBAR1
SCHEMBL8965247 0.79 ALOX5 (0.77) ALOX5HDAC6GPBAR1
SCHEMBL7752019 0.77 ALOX5 (0.71) ALOX5HDAC6
SCHEMBL9556595 0.76 ALOX5 (0.71) ALOX5HDAC6GPBAR1
SCHEMBL8801553 0.75 ALOX5 (0.64) ALOX5HDAC6
SCHEMBL8799896 0.74 ALOX5 (1.00) ALOX5

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