SCHEMBL8799338

SCHEMBL8799338

O=C(CC1CCCCC1)c1ccc(OCc2cscn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
PARP15 Q460N3 3/20 0.44
PARP10 Q53GL7 3/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PARP2 Q9UGN5 1/20 0.39
POLB P06746 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK14 Q16539 1/20 0.37
CACNA1B Q00975 1/20 0.37

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
SCHEMBL8800932 0.78 ALOX5 (0.46) ALOX5MMP13MMP14HPGDCACNA1B
SCHEMBL16621263 0.77 NR4A2 (0.53) ALOX5POLBNPC1RAB9ASMN1; SMN2
SCHEMBL8799902 0.77 ALOX5 (0.53) ALOX5MMP13MMP14CACNA1B
SCHEMBL6902866 0.77 EGFR (0.58) PARP10RAB9AALDH1A1SMN1; SMN2
SCHEMBL5510308 0.77 EGFR (0.58) PARP10RAB9AALDH1A1SMN1; SMN2
SCHEMBL8799334 0.76 ALOX5 (0.46) ALOX5PARP15PARP10MMP13MMP14
SCHEMBL8801528 0.73 ALOX5 (0.51) ALOX5CACNA1B
SCHEMBL8965350 0.73 ALOX5 (0.53) ALOX5
SCHEMBL8800909 0.72 ALOX5 (0.58) ALOX5
SCHEMBL8965181 0.72 ALOX5 (0.51) ALOX5MMP13MMP14CACNA1B

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 3 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
US-5512581-A ANTIINFLAMMATORY AGENT ABBOTT LABORATORIES (US) 1996-04-30 US disclosed
WO-1996002507-A1 IMINOXYCARBOXYLATES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1996-02-01 WO disclosed