SCHEMBL5708136

SCHEMBL5708136

CC1(C)CCCC(CCCOC(=O)C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
FKBP1A P62942 5/20 0.36
NAAA Q02083 6/20 0.35
EPHX1 P07099 1/20 0.35
ARG1 P05089 1/20 0.34
ASAH1 Q13510 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL5708008 0.88 SMN1; SMN2 (0.39) SMN1; SMN2FKBP1ANAAAEPHX1ARG1
SCHEMBL5708024 0.83 SMN1; SMN2 (0.41) SMN1; SMN2FKBP1ANAAAEPHX1ARG1
SCHEMBL756557 0.76 ARG1 (0.34) SMN1; SMN2NAAAARG1CHRM2CHRM4
SCHEMBL5708041 0.76 NR1H4 (0.33)
SCHEMBL25341709 0.75 NAAA (0.34) SMN1; SMN2NAAAEPHX1ARG1
SCHEMBL25341713 0.74 ARG1 (0.34) SMN1; SMN2NAAAARG1
SCHEMBL8089614 0.74 LMNA (0.39) SMN1; SMN2ARG1
SCHEMBL5708026 0.72 EP300 (0.32)
SCHEMBL6335393 0.72 LMNA (0.38) ARG1
SCHEMBL27928439 0.72 GAA (0.40) ARG1

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-1398366-B1 Fruity musk compositions INT FLAVORS & FRAGRANCES INC (US) 2006-11-22 EP disclosed