SCHEMBL8800737

SCHEMBL8800737

N=C(C1CCCCC1)C(c1ccc(OCc2cscn2)cc1)C(O)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.51
FFAR1 O14842 5/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL8801377 0.99 ALOX5 (0.50) ALOX5FFAR1MEN1NPC1LMNA
SCHEMBL9068707 0.81 ALOX5 (0.61) ALOX5HDAC6
SCHEMBL8965352 0.80 ALOX5 (0.51) ALOX5FFAR1MEN1NPC1LMNA
SCHEMBL8965327 0.79 ALOX5 (0.49) ALOX5FFAR1MEN1NPC1LMNA
SCHEMBL8967160 0.74 ALOX5 (0.48) ALOX5FFAR1MEN1NPC1LMNA
SCHEMBL8799902 0.72 ALOX5 (0.53) ALOX5HDAC6MMP13MMP14
SCHEMBL8799350 0.71 ALOX5 (0.60) ALOX5HDAC6
SCHEMBL8799338 0.71 ALOX5 (0.52) ALOX5NPC1LMNARAB9ASMN1; SMN2
SCHEMBL8800909 0.70 ALOX5 (0.58) ALOX5MEN1KMT2AHDAC6
SCHEMBL8800021 0.70 ALOX5 (0.58) ALOX5HDAC6MMP13MMP14

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 4 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 claimed
WO-1996002507-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1996-02-01 WO claimed
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