SCHEMBL9716850

SCHEMBL9716850

CCOC(=O)CCC(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
POLB P06746 1/20 0.57
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
PPID Q08752 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.43
TOP2A P11388 2/20 0.43
ALOX5 P09917 1/20 0.43
PTPN1 P18031 1/20 0.42

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
SCHEMBL28633333 0.88 SMN1; SMN2 (0.56) SMN1; SMN2POLBCYP4F2CYP4A11PPID
SCHEMBL24451338 0.84 SMN1; SMN2 (0.56) SMN1; SMN2POLBCYP4F2CYP4A11PPID
SCHEMBL2008935 0.83 SMN1; SMN2 (0.55) SMN1; SMN2POLBCYP4F2CYP4A11PPID
SCHEMBL19766890 0.83 SMN1; SMN2 (0.47) SMN1; SMN2POLBCHRM2CHRM4CHRM5
SCHEMBL4619371 0.83 SMN1; SMN2 (0.54) SMN1; SMN2POLBCYP4F2CYP4A11PPID
SCHEMBL8485631 0.82 SMN1; SMN2 (0.54) SMN1; SMN2POLBCYP4F2CYP4A11PPID
Ether SCHEMBL11494501 0.81 SMN1; SMN2 (0.50) SMN1; SMN2POLBCYP4F2CYP4A11PPID
SCHEMBL5062051 0.81 SMN1; SMN2 (0.52) SMN1; SMN2POLBCYP4F2CYP4A11PPID
SCHEMBL8485171 0.81 SMN1; SMN2 (0.52) SMN1; SMN2POLBCYP4F2CYP4A11PPID
SCHEMBL24451334 0.80 SMN1; SMN2 (0.52) SMN1; SMN2POLBCYP4F2CYP4A11PPID

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
US-5089529-A Antiarrhythmia agents NIPPON SHINYAKU CO., LTD. (JP) 1992-02-18 US disclosed