SCHEMBL6978639

SCHEMBL6978639

CN(C)C(=O)COc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
SRD5A2 P31213 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
MAT2A P31153 1/20 0.36
KEAP1 Q14145 4/20 0.36
NFE2L2 Q16236 4/20 0.36
PRF1 P14222 1/20 0.35
SLC5A1 P13866 1/20 0.35

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
SCHEMBL6971533 0.84 NPC1 (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL6980670 0.79 NPC1 (0.66) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL6980392 0.78 ALDH1A1 (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL8164935 0.78 NPC1 (0.37) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL8164932 0.78 NPC1 (0.37) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL8592324 0.76 NPC1 (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL6967654 0.75 TAAR1 (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL83319 0.75 NPC1 (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL23178776 0.75 NPC1 (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL8816195 0.75 NPC1 (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT

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-0861239-B1 BIPHENYL ETHER OXAZOLINES AND THEIR USE AS PEST-CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2003-02-12 EP disclosed
US-6211214-B1 PESTICIDES, INSECTICIDES OR MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
EP-0861239-A1 BIPHENYL ETHER OXAZOLINES AND THEIR USE AS PEST-CONTROL AGENTS BAYER AG (DE) 1998-09-02 EP disclosed
WO-1997019067-A1 BIPHENYL ETHER OXAZOLINES AND THEIR USE AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-05-29 WO disclosed