SCHEMBL14018571

SCHEMBL14018571

C[C@H](CCCCCc1cccc(OCCCC(=O)O)c1)CN(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.50
▸ PPARG P37231 2/20 0.50
▸ PTGDR2 Q9Y5Y4 2/20 0.47
▸ PTGDR Q13258 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ CYP2D6 P10635 3/20 0.45
▸ PTGIR P43119 1/20 0.45
▸ CYSLTR2 Q9NS75 1/20 0.44
▸ CYSLTR1 Q9Y271 1/20 0.44
▸ FFAR1 O14842 2/20 0.43
▸ CSF3R Q99062 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL14018573 0.80 AOC3 (0.50) CYP2D6
SCHEMBL4112790 0.77 PPARA (0.74) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL25456613 0.77 PPARA (0.74) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL27419819 0.77 PPARA (0.74) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL4123448 0.77 PPARA (0.74) PPARAPPARGCNR1CNR2CYP2D6
SCHEMBL20945377 0.76 PPARA (0.58) PPARAPPARGPTGDR2PTGDRCNR1
SCHEMBL947863 0.76 FFAR1 (0.67) PPARAPPARGPTGDR2PTGDRCNR1
SCHEMBL26206374 0.75 PPARA (0.51) PPARAPPARGPTGDR2PTGDRCNR1
SCHEMBL7474979 0.74 CYSLTR2 (0.57) PPARAPPARGPTGDR2PTGDRCNR1
SCHEMBL27565591 0.74 PPARA (0.55) PPARAPPARGPTGDR2PTGDRCNR1

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-1988398-A1 Immunoassay for tramadol and its major metabolites Randox Laboratories Ltd. (GB) 2008-11-05 — — EP disclosed
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