SCHEMBL2428776

SCHEMBL2428776

CCC(C(=O)O)c1ccc(N2C(=O)c3c(c(OCC(F)(F)F)c4ccccc4c3OCC(F)(F)F)C2=O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.42
AKR1C2 P52895 13/20 0.42
PTGER4 P35408 5/20 0.40
AKR1B10 O60218 3/20 0.39
AKR1C4 P17516 3/20 0.39
AKR1C1 Q04828 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
APP P05067 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL2432467 0.97 PTGER4 (0.43) AKR1C3AKR1C2PTGER4AKR1B10AKR1C4
SCHEMBL2431779 0.87 PTGER4 (0.44) AKR1C3AKR1C2PTGER4AKR1B10AKR1C4
SCHEMBL1590264 0.87 PTGER4 (0.42) AKR1C3AKR1C2PTGER4AKR1C1CYP1A2
SCHEMBL1590785 0.86 AKR1C3 (0.37) AKR1C3AKR1C2PTGER4AKR1B10AKR1C4
SCHEMBL1591410 0.85 PTGER4 (0.44) AKR1C3AKR1C2PTGER4AKR1C1CYP1A2
SCHEMBL1590718 0.85 PTGER4 (0.45) AKR1C3AKR1C2PTGER4AKR1C1CYP1A2
SCHEMBL1591043 0.84 PTGER4 (0.47) PTGER4CYP1A2CYP2D6
SCHEMBL2430703 0.84 PTGER4 (0.62) PTGER4
SCHEMBL2429354 0.84 PTGER4 (0.62) PTGER4
SCHEMBL1590275 0.84 PTGER4 (0.38) AKR1C3AKR1C2PTGER4AKR1C1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026270-B2 Benzo [F] isoindoles as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-27 US disclosed