SCHEMBL8129886

SCHEMBL8129886

CC(C)(C)OC(=O)N1CCCCC1(C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
HPGD P15428 1/20 0.40
JAK3 P52333 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSK P43235 1/20 0.38
PREP P48147 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL2246036 0.95 GRIN2B (0.43) GRIN2BGRIN2CHPGDJAK3USP2
SCHEMBL630080 0.92 GRIN2B (0.38) GRIN2BGRIN2CHPGDJAK3USP2
SCHEMBL6642949 0.85 HPGD (0.36) GRIN2BGRIN2CHPGDJAK3USP2
SCHEMBL15922454 0.84 GRIN2B (0.39) GRIN2BGRIN2CHPGDJAK3USP2
SCHEMBL14956788 0.83 GRIN2B (0.38) GRIN2BGRIN2CHPGDJAK3USP2
SCHEMBL14956785 0.83 GRIN2B (0.38) GRIN2BGRIN2CHPGDJAK3USP2
SCHEMBL705581 0.83 GRIN2B (0.38) GRIN2BGRIN2CHPGDJAK3USP2
SCHEMBL2981422 0.82 JAK3 (0.48) GRIN2BGRIN2CHPGDJAK3USP2
SCHEMBL1839800 0.82 GRIN2B (0.38) GRIN2BGRIN2CHPGDJAK3USP2
SCHEMBL29619416 0.82 GRIN2B (0.40) GRIN2BGRIN2CHPGDJAK3USP2

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-1000030-A1 PIPERIDINE OLIGOMERS AND COMBINATORIAL LIBRARIES THEREOF Phytera Symbion ApS (DK) 2000-05-17 EP disclosed
WO-1999003832-A1 PIPERIDINE OLIGOMERS AND COMBINATORIAL LIBRARIES THEREOF PHYTERA SYMBION APS (DK) 1999-01-28 WO disclosed