SCHEMBL6971533

SCHEMBL6971533

O=C(COc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PPARG P37231 2/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.36
FFAR1 O14842 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL6978639 0.84 RAB9A (0.42) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6980670 0.77 NPC1 (0.66) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6967654 0.75 TAAR1 (0.44) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL8816195 0.75 NPC1 (0.47) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL83507 0.75 NPC1 (0.47) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL82386 0.75 NPC1 (0.47) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6980392 0.74 ALDH1A1 (0.41) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL7664282 0.74 MAOB (0.44) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL7838090 0.74 NPC1 (0.45) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL23178723 0.73 ALDH1A1 (0.47) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1

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