SCHEMBL8965298

SCHEMBL8965298

N=C(C1CCCCC1)C(OCCC(=O)O)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.60
HDAC6 Q9UBN7 1/20 0.58
CYSLTR2 Q9NS75 2/20 0.56
CYSLTR1 Q9Y271 2/20 0.56
FFAR1 O14842 1/20 0.52
AKR1B1 P15121 1/20 0.52

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
SCHEMBL8965945 0.90 ALOX5 (0.54) ALOX5HDAC6
SCHEMBL9068707 0.81 ALOX5 (0.61) ALOX5HDAC6CYSLTR2CYSLTR1
SCHEMBL8965352 0.81 ALOX5 (0.51) ALOX5HDAC6FFAR1
SCHEMBL8965327 0.80 ALOX5 (0.49) ALOX5HDAC6FFAR1
SCHEMBL8965904 0.78 FFAR1 (0.63) ALOX5CYSLTR2CYSLTR1FFAR1AKR1B1
SCHEMBL7818344 0.75 ALOX5 (1.00) ALOX5HDAC6
SCHEMBL9030094 0.75 ALOX5 (1.00) ALOX5HDAC6
SCHEMBL2109295 0.75 ALOX5 (1.00) ALOX5HDAC6
SCHEMBL7818529 0.75 ALOX5 (1.00) ALOX5HDAC6
SCHEMBL9123409 0.75 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