SCHEMBL7723625

SCHEMBL7723625

CCC(CC)(NC(=O)OC)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
CNR2 P34972 2/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
KDM4C Q9H3R0 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
SCHEMBL28981489 0.86
SCHEMBL28981493 0.85
SCHEMBL88462 0.81 CTSK (0.41) GAA
SCHEMBL7722761 0.77 PKM (0.46) CNR2MGAMGAASIMGAM2
SCHEMBL28109569 0.76 EPHX1 (0.32) EPHX1MGAMGAASIMGAM2
SCHEMBL748437 0.76 TSHR (0.44) EPHX1MGAMGAASIMGAM2
SCHEMBL30434381 0.74 KDM5B (0.33) CNR2KDM4C
SCHEMBL58258 0.74 KDM4C (0.32) CNR2KDM4C
SCHEMBL23152943 0.73 EPHX1 (0.37) EPHX1MGAMGAASIMGAM2
SCHEMBL5147739 0.72 CTSK (0.39) GAA

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
US-6399809-B1 FROM MALONIC ACID MONOESTER AMIDE DEGUSSA AG (DE) 2002-06-04 US disclosed