SCHEMBL6935813

SCHEMBL6935813

CCCCCCOc1c2c(c(OC(C)C)c3ccccc13)C(=O)N(c1ccc(C(CC)C(=O)O)cc1)C2=O.CCCCCCOc1c2c(c(OC(C)C)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 12/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
PLA2G4B P0C869 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL6932887 0.94 PTGER4 (0.61) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL3570585 0.94 PTGER4 (0.47) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL4617779 0.92 PTGER4 (0.67) PTGER4CYP1A2CYP2D6PLA2G4BTHRA
SCHEMBL3572228 0.89 PTGER4 (0.70) PTGER4CYP1A2CYP2D6PLA2G4BTHRA
SCHEMBL3564292 0.89 PTGER4 (0.52) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL3563515 0.88 PTGER4 (0.49) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL6935816 0.88 PTGER4 (0.48) PTGER4CYP1A2CYP2D6LMNAPPARG
SCHEMBL3562853 0.87 PTGER4 (0.50) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL3568198 0.86 PTGER4 (0.71) PTGER4CYP1A2CYP2D6
SCHEMBL3565993 0.86 PTGER4 (0.77) PTGER4CYP1A2CYP2D6PLA2G4BTHRA

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-1368312-A1 BENZO'F!ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2003-12-10 EP disclosed
WO-2002064564-A1 BENZO'F!ISOINDOLE DERIVATIVES WITH AFFINITY TO THE EP4 RECEPTOR GLAXO GROUP LIMITED (GB) 2002-08-22 WO disclosed