SCHEMBL8799819

SCHEMBL8799819

O=C(O)C1ON1C(c1ccc(OCc2nc3ccccc3s2)cc1)C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.60
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
EPHX2 P34913 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX5AP P20292 5/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL8799972 1.00 ALOX5 (0.60) ALOX5NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL8804130 1.00 ALOX5 (0.60) ALOX5NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL8802299 1.00 ALOX5 (0.60) ALOX5NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL8800494 0.99 ALOX5 (0.61) ALOX5NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL8800571 0.99 ALOX5 (0.61) ALOX5NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL8800408 0.99 ALOX5 (0.61) ALOX5NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL9564300 0.82 ALOX5 (0.67) ALOX5NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL8799791 0.81 ALOX5 (0.68) ALOX5HDAC6
SCHEMBL8800756 0.81 ALOX5 (0.68) ALOX5HDAC6
SCHEMBL8799716 0.81 ALOX5 (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772594-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Abbott Laboratories (US) 1997-05-14 EP disclosed
WO-1996002507-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1996-02-01 WO disclosed