SCHEMBL6932887

SCHEMBL6932887

CCCOc1c2c(c(OC(C)C)c3ccccc13)C(=O)N(c1ccc(C(CC)C(=O)O)cc1)C2=O.CCCOc1c2c(c(OC(C)C)c3ccccc13)C(=O)N(c1ccc(CC(=O)O)cc1)C2=O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 16/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
HTR1A P08908 1/20 0.38
ADRA1A P35348 1/20 0.38
PPARA Q07869 3/20 0.37
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37

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
SCHEMBL6935813 0.94 PTGER4 (0.58) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL3563515 0.94 PTGER4 (0.49) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL3568198 0.92 PTGER4 (0.71) PTGER4CYP1A2CYP2D6
SCHEMBL3561182 0.88 PTGER4 (0.55) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL3570585 0.88 PTGER4 (0.47) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL3572228 0.87 PTGER4 (0.70) PTGER4CYP1A2CYP2D6PPARG
SCHEMBL6932891 0.87 PTGER4 (0.50) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL3564199 0.87 PTGER4 (0.50) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL3565194 0.86 PTGER4 (0.59) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL4617779 0.86 PTGER4 (0.67) PTGER4CYP1A2CYP2D6

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