SCHEMBL7556540

SCHEMBL7556540

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.56
PTGDR2 Q9Y5Y4 2/20 0.52
PTGDR Q13258 1/20 0.51
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
CYSLTR2 Q9NS75 2/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
FFAR4 Q5NUL3 3/20 0.49
HPGD P15428 1/20 0.47
MMP13 P45452 1/20 0.47
PPARD Q03181 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
SCHEMBL7552344 0.96 FFAR1 (0.55) FFAR1PTGDR2PTGDRPPARGPPARA
SCHEMBL7474979 0.86 CYSLTR2 (0.57) FFAR1PTGDR2PTGDRPPARGPPARA
SCHEMBL7557832 0.83 CYP2D6 (0.57)
SCHEMBL10730356 0.83 PLA2G4B (0.60) FFAR1PTGDR2CYSLTR2CYSLTR1FFAR4
SCHEMBL10982703 0.82 FFAR1 (0.56) FFAR1PPARGPPARACYSLTR2CYSLTR1
SCHEMBL947863 0.82 FFAR1 (0.67) FFAR1PTGDR2PTGDRPPARGPPARA
SCHEMBL17413767 0.82 FFAR1 (0.71) FFAR1CYSLTR2CYSLTR1FFAR4PPARD
SCHEMBL7474657 0.81 FFAR1 (0.62) FFAR1PPARGPPARAFFAR4PPARD
SCHEMBL7989273 0.81 CYSLTR2 (0.54) FFAR1PTGDR2PTGDRPPARGPPARA
SCHEMBL11605768 0.81 PPARA (0.54) FFAR1PTGDR2PTGDRPPARACYSLTR2

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