SCHEMBL7911513

SCHEMBL7911513

O=C(O)Cc1cccc(Oc2ccc(OCCCCCCCCCCCCCCCCCCOc3ccc(Oc4cccc(CC(=O)O)c4)cc3)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.67
FFAR1 O14842 7/20 0.56
FFAR4 Q5NUL3 3/20 0.56
PTPN11 Q06124 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
SRD5A2 P31213 1/20 0.50
NR3C1 P04150 1/20 0.49
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48

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
SCHEMBL25081993 0.89 PLA2G4B (0.71) PLA2G4BPTPN11CYP4F2CYP4A11LTB4R
SCHEMBL30278806 0.89 PLA2G4B (0.71) PLA2G4BPTPN11CYP4F2CYP4A11LTB4R
SCHEMBL25081988 0.89 PLA2G4B (0.71) PLA2G4BPTPN11CYP4F2CYP4A11LTB4R
SCHEMBL25081987 0.89 PLA2G4B (0.71) PLA2G4BPTPN11CYP4F2CYP4A11LTB4R
SCHEMBL30278812 0.89 PLA2G4B (0.71) PLA2G4BPTPN11CYP4F2CYP4A11LTB4R
SCHEMBL25081990 0.88 PLA2G4B (0.68) PLA2G4BFFAR1PTPN11CYP4F2CYP4A11
SCHEMBL30278815 0.88 PLA2G4B (0.68) PLA2G4BFFAR1PTPN11CYP4F2CYP4A11
SCHEMBL415441 0.86 FFAR1 (0.68) FFAR1FFAR4SRD5A2NR3C1
SCHEMBL3508233 0.85 PLA2G4B (0.56) PLA2G4BFFAR1FFAR4CYP4F2CYP4A11
SCHEMBL30278807 0.84 PLA2G4B (0.64) PLA2G4BFFAR1PTPN11CYP4F2CYP4A11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999064041-A9 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS ADVANCED MEDICINE INC (US) 2001-05-31 WO disclosed
EP-1100519-A1 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS Advanced Medicine, Inc. (US) 2001-05-23 EP disclosed
WO-1999064041-A1 MULTIBINDING AGENTS THAT MODULATE NMDA RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed