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Sugi Predict / Compounds / SCHEMBL5140004

SCHEMBL5140004

SCHEMBL5140004

CCCc1ccc(C#Cc2coc3ccc(CN(Cc4ccc(C(F)(F)F)cc4)OC(=O)C=O)cc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.35
▸ MTNR1A P48039 1/20 0.33
▸ FFAR1 O14842 2/20 0.32
▸ ACACB O00763 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ AKR1C3 P42330 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL1852638 0.83 PTGES (0.42) PTGESMTNR1AFFAR1ACACBPPARD
SCHEMBL4671672 0.83 FFAR1 (0.38) PTGESMTNR1AFFAR1ACACBPPARD
SCHEMBL1854015 0.82 PTGES (0.38) PTGESMTNR1AFFAR1ACACBPPARD
SCHEMBL1854016 0.77 PTGES (0.35) PTGESMTNR1AFFAR1ACACBPPARD
SCHEMBL4974276 0.75 MTNR1A (0.32) MTNR1AFFAR1ACACB
SCHEMBL5048897 0.74 ACACB (0.35) MTNR1AFFAR1ACACB
SCHEMBL5039404 0.73 ACACB (0.39) PTGESMTNR1AFFAR1ACACB
SCHEMBL6022105 0.68 FFAR1 (0.32) FFAR1
SCHEMBL1854543 0.67 FFAR1 (0.35) PTGESFFAR1PPARDPPARA
SCHEMBL1856164 0.67 FFAR1 (0.35) PTGESFFAR1PPARDPPARA

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 — — EP claimed