SCHEMBL9946193

SCHEMBL9946193

COCOC(=O)CC(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
TSHR P16473 3/20 0.35
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32
TET2 Q6N021 1/20 0.31
RECQL P46063 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
SCHEMBL204758 0.80 GAA (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL5256895 0.80 MGAM (0.55) MGAMGAASIMGAM2TSHR
SCHEMBL66328 0.79 GAA (0.64) MGAMGAASIMGAM2TSHR
SCHEMBL1792560 0.76 GAA (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL13141063 0.75 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL28518326 0.73 TSHR (0.33) MGAMGAASIMGAM2TSHR
SCHEMBL807413 0.73 PRKCA (0.42) GAA
SCHEMBL2759397 0.73 MGAM (0.62) MGAMGAASIMGAM2TSHR
SCHEMBL5256898 0.73 MGAM (0.42) MGAMGAASIMGAM2TSHR
Acetone SCHEMBL6053753 0.73 MGAM (0.48) MGAMGAASIMGAM2TSHR

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
US-8899745-B2 Ophthalmic lenses modified with functional groups and methods of making thereof NOVARTIS AG (CH) 2014-12-02 US disclosed
US-20120147323-A1 OPHTHALMIC LENSES MODIFIED WITH FUNCTIONAL GROUPS AND METHODS OF MAKING THEREOF ALCON INC. (CH) 2012-06-14 US disclosed