SCHEMBL2816545

SCHEMBL2816545

NC(O)(CN1CCOCC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KCNA5 P22460 2/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL296075 0.84 OPRM1 (0.58) MEN1KMT2ALMNAOPRM1OPRD1
SCHEMBL4632546 0.80 GAA (0.53) MEN1KMT2AGAALMNAOPRM1
SCHEMBL20976187 0.80 GAA (0.53) MEN1KMT2AGAALMNAOPRM1
SCHEMBL27296766 0.79 KMT2A (0.55) MEN1KMT2AGAALMNAOPRM1
Hydrochloric Acid SCHEMBL4169355 0.79 GAA (0.52) MEN1KMT2AGAALMNAOPRM1
SCHEMBL4368113 0.75 ALDH1A1 (0.52) MEN1KMT2AGAALMNAOPRM1
SCHEMBL27672097 0.74 MEN1 (0.50) MEN1KMT2AGAALMNAOPRM1
SCHEMBL20976118 0.73 GAA (0.64) MEN1KMT2AGAALMNAOPRM1
SCHEMBL18539289 0.73 GAA (0.64) MEN1KMT2AGAALMNAOPRM1
SCHEMBL18765532 0.72 OPRM1 (0.52) MEN1KMT2AGAALMNAOPRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205212-A1 AGENT CONTAINING ESTER COMPOUND HAVING A FATTY ALCOHOL COMPONENT Henkel AG & Co. KGaA (DE) 2010-07-14 EP disclosed
WO-2010034626-A2 NOVEL DEVELOPER COMPONENTS HENKEL AG & CO. KGAA (DE) 2010-04-01 WO disclosed
WO-2010015442-A1 COLORATION USING CATIONIZABLE POLYMER HENKEL AG & CO. KGAA (DE) 2010-02-11 WO disclosed
WO-2009060020-A1 AGENT CONTAINING ESTER COMPOUND HAVING A FATTY ALCOHOL COMPONENT HENKEL AG & CO. KGAA (DE) 2009-05-14 WO disclosed