SCHEMBL8965247

SCHEMBL8965247

O=C(O)c1ccc(C=NOC(CC2CCCCC2)c2ccc(OCc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.77
GPBAR1 Q8TDU6 1/20 0.56
HDAC6 Q9UBN7 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
SCHEMBL8799903 0.87 ALOX5 (1.00) ALOX5
SCHEMBL8799896 0.87 ALOX5 (1.00) ALOX5
SCHEMBL8965350 0.83 ALOX5 (0.53) ALOX5
SCHEMBL8800551 0.82 ALOX5 (0.77) ALOX5GPBAR1HDAC6
SCHEMBL8965414 0.82 ALOX5 (0.52) ALOX5
SCHEMBL8965242 0.79 ALOX5 (0.60) ALOX5GPBAR1HDAC6
SCHEMBL7752019 0.77 ALOX5 (0.71) ALOX5HDAC6
SCHEMBL9556595 0.76 ALOX5 (0.71) ALOX5GPBAR1HDAC6
SCHEMBL9033119 0.75 GPBAR1 (0.85) GPBAR1
SCHEMBL9033055 0.75 GPBAR1 (0.85) GPBAR1

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