SCHEMBL7780092

SCHEMBL7780092

O=C(COc1ccc(SCCCCCc2ccccc2)cc1)c1nc2ccccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.59
PLA2G4A P47712 2/20 0.59
PLA2G2A P14555 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.50
GLO1 Q04760 1/20 0.46
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
PPARD Q03181 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GALK1 P51570 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7779193 0.89 PLA2G4B (0.53) PLA2G4BPLA2G4APLA2G2AMAPTMEN1
SCHEMBL7782197 0.89 PLA2G4A (0.66) PLA2G4BPLA2G4APLA2G2ASMN1; SMN2MAPT
SCHEMBL7782754 0.84 SMN1; SMN2 (0.50) PLA2G4ASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7780140 0.83 PLA2G4B (0.58) PLA2G4BPLA2G4APLA2G2ASMN1; SMN2NPC1
SCHEMBL17363389 0.83 PLA2G4A (0.61) PLA2G4ASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7782090 0.82 PLA2G4B (0.54) PLA2G4BPLA2G4APLA2G2AMEN1KMT2A
SCHEMBL7780170 0.81 PLA2G4B (0.53) PLA2G4BPLA2G4APLA2G2APPARGPPARA
SCHEMBL7781878 0.81 PLA2G4B (0.52) PLA2G4BPLA2G4APLA2G2AMAPTPPARD
SCHEMBL7780095 0.79 MAPT (0.48) PLA2G4BPLA2G4APLA2G2ASMN1; SMN2NPC1
SCHEMBL7782746 0.79 PLA2G4B (0.76) PLA2G4BPLA2G4APLA2G2ANPC1PPARG

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-1135377-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-09-26 EP claimed
WO-2000034254-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-06-15 WO claimed
EP-1135377-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-09-26 EP disclosed
WO-2000034254-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-06-15 WO disclosed