SCHEMBL4752356

SCHEMBL4752356

CCOC(=O)c1cnc(CC(OCC)OCC)nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 5/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 6/20 0.44
ALOX15 P16050 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL4179985 0.78 RAB9A (0.50) RAB9ANPSR1NPC1MAPTALDH1A1
SCHEMBL1811355 0.77 RAB9A (0.49) RAB9ANPSR1NPC1MAPTALDH1A1
SCHEMBL4769593 0.76 MAPT (0.56) RAB9ANPSR1NPC1MAPTALDH1A1
SCHEMBL26477898 0.76 RAB9A (0.51) RAB9ANPSR1NPC1MAPTALDH1A1
SCHEMBL1811356 0.76 RAB9A (0.51) RAB9ANPSR1NPC1MAPTALDH1A1
SCHEMBL30996914 0.76 RAB9A (0.56) RAB9ANPSR1NPC1MAPTALDH1A1
SCHEMBL1669574 0.76 RAB9A (0.56) RAB9ANPSR1NPC1MAPTALDH1A1
SCHEMBL4592965 0.74 RAB9A (0.55) RAB9ANPSR1NPC1MAPTALDH1A1
SCHEMBL1143375 0.74 HSP90AA1 (0.70) RAB9ANPSR1NPC1MAPTALDH1A1
SCHEMBL4772518 0.74 RAB9A (0.65) RAB9ANPSR1NPC1MAPTALDH1A1

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-1965645-A2 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-09-10 EP disclosed
WO-2007070606-A2 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-06-21 WO disclosed