SCHEMBL7010046

SCHEMBL7010046

CC(C)(C)OC(=O)C1(C)CCC(=O)C(N)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
KDM1A O60341 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL1700824 0.75 FFAR3 (0.33) MAPK1NFKB1NFKB2RELAGAA
SCHEMBL18821254 0.69 CRBN (0.31)
SCHEMBL5663490 0.67 MAPK1 (0.36) MAPK1
SCHEMBL3432699 0.67 MAPT (0.32)
SCHEMBL5722406 0.67 FFAR3 (0.39) MAPK1
SCHEMBL3646229 0.67 GRM2 (0.43) MAPK1
SCHEMBL25241773 0.66 MAPK1 (0.34) MAPK1KDM1A
SCHEMBL27427641 0.66 CYP4F2 (0.33)
SCHEMBL21564990 0.65 FFAR3 (0.37) GAA
SCHEMBL25641870 0.65 CHRM2 (0.40) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1891689-A Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO (JP) 2007-01-10 CN disclosed
CN-1257891-C Nitrogenous five-membered ring compound TANABE SEIYAKU CO (JP) 2006-05-31 CN disclosed
CN-1468216-A Nitrogenous five-membered ring compound ������ҩ��ʽ���� 2004-01-14 CN disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP disclosed
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 EP disclosed