SCHEMBL7647703

SCHEMBL7647703

CC(C)(C)OC(=O)N(CCCI)CCc1cccc(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.40
SLC7A5 Q01650 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 2/20 0.39
FOLH1 Q04609 2/20 0.39
LPAR1 Q92633 2/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
TP53 P04637 2/20 0.38
PKM P14618 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL7646154 0.91 SLC7A5 (0.47) SLC7A5L3MBTL1HDAC1FOLH1CYP4F2
SCHEMBL25047707 0.87 L3MBTL1 (0.44) L3MBTL1HDAC1RAB9AHDAC3HDAC2
SCHEMBL30563213 0.85 CA14 (0.45) HDAC1CYP4F2CYP4A11NR1H4HDAC3
SCHEMBL25378075 0.85 CA14 (0.45) HDAC1CYP4F2CYP4A11NR1H4HDAC3
SCHEMBL7650962 0.84 LPAR1 (0.39) MRGPRX4SLC7A5L3MBTL1HDAC1LPAR1
SCHEMBL19078997 0.83 MAPT (0.45) MRGPRX4SLC7A5L3MBTL1HDAC1CYP4F2
SCHEMBL19078990 0.83 MAPT (0.45) MRGPRX4SLC7A5L3MBTL1HDAC1CYP4F2
SCHEMBL29580473 0.81 MRGPRX4 (0.45) MRGPRX4SLC7A5L3MBTL1FOLH1NR1H4
SCHEMBL3010698 0.81 MRGPRX4 (0.45) MRGPRX4SLC7A5L3MBTL1FOLH1NR1H4
SCHEMBL7648075 0.81 CYP4A11 (0.53) SLC7A5L3MBTL1HDAC1CYP4F2CYP4A11

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