SCHEMBL7580898

SCHEMBL7580898

COC(=O)C(C)OC.COC(=O)C(C)OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
CA14 Q9ULX7 3/20 0.44
CA12 O43570 2/20 0.41
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
TSHR P16473 1/20 0.32
ALDH2 P05091 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL2664131 1.00
SCHEMBL35974 1.00
SCHEMBL16377936 1.00
SCHEMBL29048961 0.81 SMN1; SMN2 (0.36) SMN1; SMN2CA14CA12ALDH1A1TSHR
SCHEMBL4633092 0.81 SMN1; SMN2 (0.48) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL1928703 0.81 SMN1; SMN2 (0.36) SMN1; SMN2CA14CA12ALDH1A1TSHR
SCHEMBL7249667 0.81 SMN1; SMN2 (0.36) SMN1; SMN2CA14CA12ALDH1A1TSHR
SCHEMBL2152131 0.80 SMN1; SMN2 (0.42) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL30090510 0.80 SMN1; SMN2 (0.34) SMN1; SMN2CA14CA12KMT2A
SCHEMBL15304440 0.79

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-1240125-A1 FLUORINE CONTAINING VINYL ETHERS DYNEON LLC (US) 2002-09-18 EP disclosed
WO-2001046107-A1 FLUORINE CONTAINING VINYL ETHERS DYNEON LLC (US) 2001-06-28 WO disclosed