SCHEMBL7648073

SCHEMBL7648073

CC(c1cccc(C(=O)OC(C)(C)C)c1)N(CCCO)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.42
CASR P41180 2/20 0.37
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
TP53BP1 Q12888 1/20 0.34
TRPM8 Q7Z2W7 3/20 0.33
ACHE P22303 2/20 0.33
FAAH O00519 1/20 0.33
BCHE P06276 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
STAT3 P40763 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL7646150 0.90 SLC7A5 (0.41) SLC7A5CASRTP53BP1TRPM8ACHE
SCHEMBL7646277 0.85 SLC7A5 (0.38) SLC7A5CASRTP53BP1ACHEFAAH
SCHEMBL7647701 0.81 ANPEP (0.38) SLC7A5CASRTP53BP1TRPM8
SCHEMBL7650960 0.77 RXRA (0.35) SLC7A5CASRTRPM8
SCHEMBL7646918 0.75 SLC7A5 (0.44) SLC7A5CASRCYP4F2CYP4A11TP53BP1
SCHEMBL12270167 0.74 SLC7A5 (0.52) SLC7A5CASRTP53BP1STAT3
SCHEMBL22467363 0.74 KMT2A (0.39)
SCHEMBL7648075 0.74 CYP4A11 (0.53) SLC7A5CYP4F2CYP4A11ACHE
SCHEMBL7026472 0.73 SLC7A5 (0.51) SLC7A5CASRTP53BP1STAT3
SCHEMBL7504300 0.73 SLC7A5 (0.51) SLC7A5CASRTP53BP1STAT3

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-2002100871-A1 NEW COMPOUNDS USEFUL IN REFLUX DISEASE ASTRAZENECA AB (SE) 2002-12-19 WO disclosed