SCHEMBL7646154

SCHEMBL7646154

CC(C)(C)OC(=O)c1cccc(CCN(CCCI)C(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.47
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
HDAC1 Q13547 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ACHE P22303 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR4 Q13639 1/20 0.34
CASR P41180 2/20 0.33
FOLH1 Q04609 1/20 0.33
AKT1 P31749 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
SCHEMBL7647703 0.91 MRGPRX4 (0.40) SLC7A5CYP4F2CYP4A11HDAC1HDAC3
SCHEMBL7648075 0.90 CYP4A11 (0.53) SLC7A5CYP4F2CYP4A11HDAC1LOXL2
SCHEMBL18744852 0.87 SLC7A5 (0.56) SLC7A5CYP4F2CYP4A11LOXL2FOLH1
SCHEMBL25047707 0.84 L3MBTL1 (0.44) HDAC1HDAC3HDAC2NCOR2CA14
SCHEMBL7646280 0.84 SLC7A5 (0.43) SLC7A5CYP4F2CYP4A11HDAC1HDAC3
SCHEMBL25961093 0.78 SLC7A5 (0.58) SLC7A5CYP4F2CYP4A11LOXL2
SCHEMBL14415229 0.78 CYP4A11 (0.68) SLC7A5CYP4F2CYP4A11LOXL2FOLH1
SCHEMBL19098642 0.77 CYP4F2 (0.55) SLC7A5CYP4F2CYP4A11HDAC1LOXL2
SCHEMBL31688987 0.76 SLC7A5 (0.60) SLC7A5CYP4F2CYP4A11LOXL2CA14
SCHEMBL19078994 0.76 CYP4F2 (0.54) SLC7A5CYP4F2CYP4A11HDAC1LOXL2

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