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SCHEMBL3797909

SCHEMBL3797909

Fc1cccc(Cl)c1-c1ncc(-c2ccc(-c3ccc4c(c3)CCO4)nc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 4/20 0.51
▸ FABP4 P15090 13/20 0.43
▸ FABP3 P05413 5/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ HPGDS O60760 1/20 0.40
▸ FABP5 Q01469 1/20 0.39

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
SCHEMBL3790651 0.89 PTGES (0.51) PTGESJAK2HPGDS
SCHEMBL13076232 0.86 FABP4 (0.45) PTGESFABP4FABP3FABP5
SCHEMBL3800830 0.77 PTGES (0.54) PTGESJAK2HPGDS
SCHEMBL3791993 0.74 PTGES (0.50) PTGESJAK2HPGDS
SCHEMBL3794463 0.74 PTGES (0.67) PTGESJAK2HPGDS
SCHEMBL3795117 0.74 PTGES (0.54) PTGESJAK2HPGDS
SCHEMBL13076246 0.74 NPC1 (0.37) PTGES
SCHEMBL3793877 0.73 PTGES (0.55) PTGESJAK2HPGDS
SCHEMBL3790517 0.72 PTGES (0.54) PTGESJAK2HPGDS
SCHEMBL3791357 0.71 PTGES (0.56) PTGESJAK2HPGDS

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
WO-2010127152-A2 COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS IRM LLC (BM) 2010-11-04 — — WO claimed
WO-2010127152-A2 COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS IRM LLC (BM) 2010-11-04 — — WO disclosed