SCHEMBL7782746

SCHEMBL7782746

O=C(O)COc1ccc(SCCCCCc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.76
PLA2G4A P47712 1/20 0.76
PLA2G2A P14555 1/20 0.73
FFAR1 O14842 4/20 0.55
S1PR1 P21453 4/20 0.50
S1PR3 Q99500 2/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
ALOX15 P16050 1/20 0.50
S1PR5 Q9H228 1/20 0.50
MAPT P10636 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PTPN7 P35236 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPN12 Q05209 1/20 0.46

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
SCHEMBL1747055 0.84 FFAR1 (0.74) PLA2G4BPLA2G2AFFAR1S1PR1S1PR3
SCHEMBL7775041 0.83 PLA2G4B (0.64) PLA2G4BPLA2G4APLA2G2AFFAR1S1PR1
SCHEMBL7782117 0.81 PLA2G4B (0.61) PLA2G4BPLA2G4APLA2G2AFFAR1S1PR1
SCHEMBL1744514 0.81 FFAR1 (0.65) PLA2G4BPLA2G4APLA2G2AFFAR1S1PR1
SCHEMBL4266126 0.80 ALDH1A1 (0.59) PLA2G4BPLA2G4APLA2G2AALOX15MAPT
SCHEMBL7782763 0.79 PLA2G4B (0.59) PLA2G4BPLA2G4APLA2G2AFFAR1S1PR1
SCHEMBL7780092 0.79 PLA2G4B (0.59) PLA2G4BPLA2G4APLA2G2APPARGPPARA
SCHEMBL7774959 0.78 PLA2G4B (0.58) PLA2G4BPLA2G4APLA2G2AFFAR1S1PR1
SCHEMBL28669666 0.77 ALOX15 (0.70) FFAR1PPARGPPARAALOX15MAPT
SCHEMBL7779176 0.76 PLA2G4B (0.54) PLA2G4BPLA2G4APLA2G2AALDH1A1

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-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