SCHEMBL8964989

SCHEMBL8964989

O=C(O)C1(C(CC2CCCCC2)c2ccc(OCc3ccc4ccccc4n3)cc2)NO1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 0.61
HDAC6 Q9UBN7 1/20 0.58

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
SCHEMBL8965837 0.86 ALOX5 (0.67) ALOX5HDAC6
SCHEMBL8800278 0.86 ALOX5 (0.67) ALOX5HDAC6
SCHEMBL8964963 0.85 ALOX5 (0.67) ALOX5HDAC6
SCHEMBL7752019 0.81 ALOX5 (0.71) ALOX5HDAC6
SCHEMBL8965181 0.81 ALOX5 (0.51) ALOX5HDAC6
SCHEMBL9556595 0.80 ALOX5 (0.71) ALOX5HDAC6
SCHEMBL8965166 0.80 ALOX5 (0.49) ALOX5HDAC6
SCHEMBL8965287 0.79 ALOX5 (0.65) ALOX5HDAC6
SCHEMBL8799748 0.78 ALOX5 (0.64) ALOX5HDAC6
SCHEMBL8800620 0.78 ALOX5 (0.65) 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