SCHEMBL5862458

SCHEMBL5862458

CCCC(C)OC(=O)CC(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
MGAM O43451 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
FAAH O00519 5/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
LMNA P02545 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
TRPA1 O75762 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.34

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
SCHEMBL905444 0.90 FAAH (0.53) GAAMGAMSIMGAM2FAAH
SCHEMBL905443 0.90 FAAH (0.53) GAAMGAMSIMGAM2FAAH
SCHEMBL905430 0.90 FAAH (0.53) GAAMGAMSIMGAM2FAAH
SCHEMBL5434703 0.84 GAA (0.62) GAAMGAMSIMGAM2FAAH
SCHEMBL1206455 0.80 FAAH (0.49) FAAHCNR1CNR2LMNAALDH1A1
SCHEMBL29190726 0.80 FAAH (0.49) GAAMGAMSIMGAM2FAAH
SCHEMBL1979452 0.79 GAA (0.68) GAAMGAMSIMGAM2LMNA
Malonic Acid Diethyl Ester SCHEMBL9472390 0.79 GAA (0.68) GAAMGAMSIMGAM2LMNA
SCHEMBL3972639 0.79 GAA (0.56) GAAMGAMSIMGAM2FAAH
Butane SCHEMBL8404111 0.78 FAAH (0.47) FAAHCNR1CNR2LMNAALDH1A1

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-7060818-B2 Synthesis of macrocyclic tetraamido compounds and new metal insertion process CARNEGIE MELLON UNIVERSITY (US) 2006-06-13 US disclosed