SCHEMBL630080

SCHEMBL630080

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
JAK3 P52333 2/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSK P43235 1/20 0.36
PREP P48147 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX1 P07099 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
SCHEMBL6642949 0.93 HPGD (0.36) GRIN2BGRIN2CJAK3HPGDUSP2
SCHEMBL8129886 0.92 GRIN2B (0.40) GRIN2BGRIN2CJAK3HPGDUSP2
SCHEMBL9518563 0.89 CYP4F2 (0.32) GRIN2BGRIN2CJAK3HPGDUSP2
SCHEMBL2246036 0.87 GRIN2B (0.43) GRIN2BGRIN2CJAK3HPGDUSP2
SCHEMBL15922454 0.86 GRIN2B (0.39) GRIN2BGRIN2CJAK3HPGDUSP2
SCHEMBL14956788 0.79 GRIN2B (0.38) GRIN2BGRIN2CJAK3HPGDUSP2
SCHEMBL705581 0.79 GRIN2B (0.38) GRIN2BGRIN2CJAK3HPGDUSP2
SCHEMBL14956785 0.79 GRIN2B (0.38) GRIN2BGRIN2CJAK3HPGDUSP2
SCHEMBL2981422 0.78 JAK3 (0.48) GRIN2BGRIN2CJAK3HPGDUSP2
SCHEMBL18561055 0.78

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-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed