SCHEMBL8942311

SCHEMBL8942311

NC(=O)NCCN(O)C(=O)c1ccc(Oc2ccc(F)cc2)o1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.49
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL8942702 0.88 EPHX2 (0.38) ALOX5EPHX2ALDH1A1MAPT
SCHEMBL8942383 0.88 ALDH1A1 (0.45) ALOX5LTA4HEPHX2ALDH1A1MAPT
SCHEMBL8942307 0.88 KLKB1 (0.43) ALOX5LTA4HEPHX2ALDH1A1MAPT
SCHEMBL8783508 0.85 ALOX5 (0.54) ALOX5ALDH1A1MAPT
SCHEMBL8942749 0.83 ALOX5 (0.48) ALOX5
SCHEMBL8942397 0.80 ALOX5 (0.52) ALOX5
SCHEMBL8942621 0.80 ALOX5 (0.52) ALOX5
SCHEMBL8942835 0.80 ALOX5 (0.52) ALOX5
SCHEMBL8942609 0.80 ALOX5 (0.52) ALOX5ALDH1A1MAPT
SCHEMBL8782994 0.74 KLKB1 (0.48) ALOX5ALDH1A1MAPT

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-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed