SCHEMBL11175752

SCHEMBL11175752

CCCCC1COC2(CCCCC2)O1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
GAA P10253 1/20 0.47
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTR1A P08908 5/20 0.39
ADRA1D P25100 4/20 0.39
ADRA1B P35368 4/20 0.39
ALDH1A1 P00352 3/20 0.38
ADRA1A P35348 3/20 0.38
BRD4 O60885 1/20 0.36
ABL1 P00519 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
RIN1 Q13671 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 1/20 0.34
EPHX1 P07099 1/20 0.32

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
SCHEMBL11177497 1.00 PABPC1 (0.51) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL877280 0.98 PABPC1 (0.49) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL12943470 0.95 PABPC1 (0.45) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL11163095 0.93 PABPC1 (0.49) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL11161053 0.93 PABPC1 (0.49) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL11165380 0.91 ALDH1A1 (0.50) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL11158688 0.91 ALDH1A1 (0.50) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL11163682 0.91 ALDH1A1 (0.50) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL12943471 0.89 PABPC1 (0.54) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL13381193 0.87 PABPC1 (0.51) PABPC1CTDSP1GAATMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0028780-B1 2-ALKYL-1,4-DIOXASPIRO(4,N) ALKANES, THEIR PRODUCTION AND USE AS PERFUMES, AND PERFUME COMPOSITIONS CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1983-07-27 EP disclosed
EP-0028780-A1 2-Alkyl-1,4-dioxaspiro(4,n) alkanes, their production and use as perfumes, and perfume compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-05-20 EP disclosed