SCHEMBL7442333

SCHEMBL7442333

CCOC(=O)CC(C)(C)NCC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.35
TRPA1 O75762 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
CTSK P43235 1/20 0.34
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
DPP4 P27487 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 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
SCHEMBL2052655 0.93 GAA (0.42) GAAMGAMSIMGAM2CYP1A2
SCHEMBL7719330 0.82 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17694764 0.80 GAA (0.50) GAAMGAMSIMGAM2CYP1A2
SCHEMBL52466 0.78 CA12 (0.35) GAACYP2C19L3MBTL1TSHRMEN1
Hydrochloric Acid SCHEMBL16268161 0.78 GAA (0.48) GAAMGAMSIMGAM2CYP1A2
SCHEMBL7437449 0.78 GAA (0.48) GAAMGAMSIMGAM2CYP1A2
SCHEMBL15903847 0.77 CYP1A2 (0.46) GAAMGAMSIMGAM2CYP1A2
SCHEMBL6050243 0.77 CA12 (0.34) L3MBTL1LMNA
SCHEMBL19792256 0.76 TDP1 (0.35) GAAMGAMSIMGAM2CYP1A2
SCHEMBL6923478 0.76 GAA (0.46) GAAMGAMSIMGAM2CYP1A2

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
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed