SCHEMBL2816540

SCHEMBL2816540

NC(CO)(c1ccccc1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
AR P10275 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.37
FKBP1A P62942 1/20 0.37

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
SCHEMBL2816539 0.75 KCNA5 (0.46) KCNA5SMN1; SMN2OPRM1OPRD1MEN1
SCHEMBL8904963 0.74 LMNA (0.48) KCNA5SMN1; SMN2OPRM1OPRD1MEN1
SCHEMBL435727 0.74 LMNA (0.48) KCNA5SMN1; SMN2OPRM1OPRD1MEN1
SCHEMBL27672096 0.72 KCNA5 (0.38) KCNA5SMN1; SMN2OPRM1OPRD1MEN1
SCHEMBL11541847 0.71 SMN1; SMN2 (0.54) KCNA5SMN1; SMN2OPRM1OPRD1MEN1
SCHEMBL17444442 0.71 OPRM1 (0.41) KCNA5SMN1; SMN2OPRM1OPRD1KMT2A
SCHEMBL2816545 0.71 MEN1 (0.56) KCNA5SMN1; SMN2OPRM1OPRD1MEN1
SCHEMBL4541997 0.71 KCNA5 (0.48) KCNA5SMN1; SMN2OPRM1OPRD1MEN1
SCHEMBL16147516 0.71 MEN1 (0.49) KCNA5SMN1; SMN2OPRM1MEN1KMT2A
SCHEMBL27350218 0.71 KCNA5 (0.40) KCNA5SMN1; SMN2OPRM1OPRD1MEN1

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