SCHEMBL6980392

SCHEMBL6980392

CCOC(=O)C(C)Oc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH2 P05091 1/20 0.38
KMT2A Q03164 3/20 0.37
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33
FABP1 P07148 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL6978623 0.85 MAPT (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL83507 0.80 NPC1 (0.47) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6978639 0.78 RAB9A (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6980670 0.78 NPC1 (0.66) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8592324 0.77 NPC1 (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL83319 0.76 NPC1 (0.46) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5735323 0.76 ALDH1A1 (0.41) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6971533 0.74 NPC1 (0.45) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL23178769 0.74 NPC1 (0.43) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6967654 0.74 TAAR1 (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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