SCHEMBL7141585

SCHEMBL7141585

COC(=O)C(C)OCC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
CA14 Q9ULX7 3/20 0.35
ALDH1A1 P00352 2/20 0.33
CA12 O43570 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL9312771 0.82 SMN1; SMN2 (0.38) SMN1; SMN2CA14ALDH1A1CA12CA1
SCHEMBL26316150 0.80 ALDH1A1 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL26316135 0.80 ALDH1A1 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13898920 0.78 SMN1; SMN2 (0.42) SMN1; SMN2CA14ALDH1A1CA12CA1
SCHEMBL26316235 0.77 APLNR (0.35) CA14ALDH1A1CA12TDP1CA1
SCHEMBL26316257 0.77 APLNR (0.35) CA14ALDH1A1CA12TDP1CA1
SCHEMBL7159806 0.76 TDP1 (0.36) GAAALDH1A1TDP1
SCHEMBL926431 0.76
SCHEMBL29016960 0.76 TDP1 (0.36) GAAALDH1A1TDP1
SCHEMBL29016903 0.76 TDP1 (0.36) GAAALDH1A1TDP1

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-1278747-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 EP disclosed
WO-2001083484-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO disclosed