SCHEMBL4437296

SCHEMBL4437296

COC(=O)[C@@]1(O)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
JAK3 P52333 2/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSK P43235 1/20 0.36
EPHX1 P07099 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1H2 P55055 1/20 0.32
NAMPT P43490 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
SCHEMBL692636 1.00 GRIN2B (0.40) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL4309286 1.00 GRIN2B (0.40) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL3554328 0.89 GRIN2B (0.39) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL2774828 0.84 GRIN2B (0.41) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL1268184 0.84 GRIN2B (0.41) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL199926 0.84 GRIN2B (0.41) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL5578431 0.84 GRIN2B (0.38) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL3000663 0.81 GRIN2B (0.40) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL3000664 0.81 GRIN2B (0.40) GRIN2BGRIN2CJAK3USP2SMN1; SMN2
SCHEMBL10039817 0.81 GRIN2B (0.40) GRIN2BGRIN2CJAK3USP2SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043658-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS Gilead Sciences, Inc. (US) 2009-04-08 EP disclosed
WO-2008005565-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-01-10 WO disclosed
US-5849893-A Nucleic acid-binding oligomers possessing C-branching for therapy and diagnostics BAYER AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed