SCHEMBL4746056

SCHEMBL4746056

CCOC(=O)CNC(C)(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
PPID Q08752 2/20 0.42
ALDH1A1 P00352 6/20 0.40
TRPA1 O75762 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.37
PPIB P23284 1/20 0.37
PPIA P62937 1/20 0.37
PPIG Q13427 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
LMNA P02545 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL7437430 0.84 GAA (0.48) GAAMGAMSIMGAM2PPID
SCHEMBL2896418 0.82 GAA (0.46) GAAMGAMSIMGAM2PPID
SCHEMBL1091517 0.81 GAA (0.54) GAAMGAMSIMGAM2PPID
SCHEMBL6860553 0.79 GAA (0.52) GAAMGAMSIMGAM2PPID
SCHEMBL19661149 0.79 GAA (0.52) GAAMGAMSIMGAM2PPID
SCHEMBL11186495 0.78 GAA (0.46) GAAMGAMSIMGAM2PPID
SCHEMBL11372433 0.78 GAA (0.50) GAAMGAMSIMGAM2PPID
SCHEMBL7089973 0.76 GAA (0.61) GAAMGAMSIMGAM2PPID
SCHEMBL1058827 0.75 GAA (0.40) GAAMGAMSIMGAM2PPID
SCHEMBL10719108 0.75 TSHR (0.42) ALDH1A1TSHRMAPTEGLN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008106479-A2 POLY(1,4-PIPERAZIN-2-ONES) AS ROD-LIKE PROTEIN- PROTEIN INTERACTION INHIBITORS AND THEIR PRODUCTION UNIVERSITY OF SOUTH FLORIDA (US) 2008-09-04 WO disclosed