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Sugi Predict / Compounds / SCHEMBL2429101

SCHEMBL2429101

SCHEMBL2429101

CCOC(=O)Cc1ccc(N2C(=O)c3c(c(OCC)c4ccccc4c3OCC(F)(F)F)C2O)c(Cl)c1.CCOc1c2c(c(OCC(F)(F)F)c3ccccc13)C(O)N(c1ccc(C(CC)C(=O)O)cc1Cl)C2=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 16/20 0.43
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ APP P05067 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ AKR1C3 P42330 3/20 0.32
▸ AKR1C2 P52895 3/20 0.32

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
SCHEMBL2435918 0.94 PTGER4 (0.49) PTGER4CYP1A2CYP2D6APPPSEN1
SCHEMBL12289269 0.92 PTGER4 (0.47) PTGER4CYP1A2CYP2D6
SCHEMBL12289272 0.92 PTGER4 (0.47) PTGER4CYP1A2CYP2D6
SCHEMBL2429847 0.91 PTGER4 (0.43) PTGER4CYP1A2CYP2D6AKR1C3AKR1C2
SCHEMBL2435912 0.88 PTGER4 (0.47) PTGER4CYP1A2CYP2D6
SCHEMBL4196361 0.87 PTGER4 (0.39) PTGER4CYP1A2CYP2D6APPPSEN1
SCHEMBL2937605 0.86 PTGER4 (0.57) PTGER4CYP1A2CYP2D6
SCHEMBL14307440 0.86 PTGER4 (0.57) PTGER4CYP1A2CYP2D6
SCHEMBL2930321 0.86 PTGER4 (0.57) PTGER4CYP1A2CYP2D6
SCHEMBL2431982 0.85 PTGER4 (0.64) PTGER4

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