SCHEMBL5708024

SCHEMBL5708024

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
NAAA Q02083 11/20 0.39
EPHX1 P07099 1/20 0.36
FKBP1A P62942 2/20 0.35
ASAH1 Q13510 1/20 0.33
ARG1 P05089 1/20 0.33

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
SCHEMBL25341713 0.92 ARG1 (0.34) SMN1; SMN2NAAAARG1
SCHEMBL5708008 0.86 SMN1; SMN2 (0.39) SMN1; SMN2NAAAEPHX1FKBP1AARG1
SCHEMBL25341709 0.84 NAAA (0.34) SMN1; SMN2NAAAEPHX1ARG1
SCHEMBL5708136 0.83 SMN1; SMN2 (0.37) SMN1; SMN2NAAAEPHX1FKBP1AASAH1
SCHEMBL8089614 0.80 LMNA (0.39) SMN1; SMN2ARG1
SCHEMBL20168559 0.80 MGAM (0.42) NAAAARG1
SCHEMBL233612 0.80 MGAM (0.42) NAAAARG1
Butane SCHEMBL10711178 0.77 SMN1; SMN2 (0.55) SMN1; SMN2NAAAEPHX1FKBP1AASAH1
SCHEMBL5708114 0.77 CDC25A (0.34)
SCHEMBL756557 0.74 ARG1 (0.34) SMN1; SMN2NAAAARG1

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