SCHEMBL7552344

SCHEMBL7552344

[CH2]CCc1cccc(OCCCCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.55
▸ CYSLTR2 Q9NS75 2/20 0.54
▸ CYSLTR1 Q9Y271 2/20 0.54
▸ CNR1 P21554 1/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ PPARA Q07869 3/20 0.49
▸ PPARG P37231 1/20 0.49
▸ PTGDR2 Q9Y5Y4 2/20 0.48
▸ PTGDR Q13258 1/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.47
▸ PLA2G4B P0C869 1/20 0.46
▸ FABP1 P07148 1/20 0.46

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
SCHEMBL7556540 0.96 FFAR1 (0.56) FFAR1CYSLTR2CYSLTR1PPARAPPARG
SCHEMBL7474979 0.91 CYSLTR2 (0.57) FFAR1CYSLTR2CYSLTR1CNR1CNR2
SCHEMBL947863 0.87 FFAR1 (0.67) FFAR1CYSLTR2CYSLTR1CNR1CNR2
SCHEMBL7989273 0.86 CYSLTR2 (0.54) FFAR1CYSLTR2CYSLTR1CNR1CNR2
SCHEMBL7552622 0.84 CYP2D6 (0.58) CNR1CNR2
SCHEMBL7557375 0.84 CNR1 (0.55) CNR1CNR2
SCHEMBL17413767 0.84 FFAR1 (0.71) FFAR1CYSLTR2CYSLTR1FFAR4
SCHEMBL17413763 0.82 FFAR1 (0.69) FFAR1CYSLTR2CYSLTR1PPARAPPARG
SCHEMBL25456613 0.82 PPARA (0.74) CYSLTR2CYSLTR1CNR1CNR2PPARA
SCHEMBL4112790 0.82 PPARA (0.74) CYSLTR2CYSLTR1CNR1CNR2PPARA

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-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 — — EP disclosed
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