SCHEMBL7647701

SCHEMBL7647701

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.38
ENPEP Q07075 1/20 0.38
TRPM8 Q7Z2W7 5/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
CASR P41180 1/20 0.35
SLC7A5 Q01650 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53BP1 Q12888 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEP1B Q16820 2/20 0.33
RXRA P19793 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 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
SCHEMBL7646150 0.91 SLC7A5 (0.41) TRPM8CASRSLC7A5TP53BP1
SCHEMBL7650960 0.84 RXRA (0.35) ANPEPENPEPTRPM8MRGPRX4CASR
SCHEMBL7648073 0.81 SLC7A5 (0.42) TRPM8CASRSLC7A5TP53BP1
SCHEMBL2379533 0.80 ANPEP (0.42) ANPEPENPEPMRGPRX4SLC7A5KDM4E
SCHEMBL2379838 0.80 ANPEP (0.42) ANPEPENPEPMRGPRX4SLC7A5KDM4E
SCHEMBL2378736 0.80 ANPEP (0.42) ANPEPENPEPMRGPRX4SLC7A5KDM4E
SCHEMBL7645861 0.78 L3MBTL1 (0.36) L3MBTL1KDM4EALDH1A1
SCHEMBL7646277 0.76 SLC7A5 (0.38) CASRSLC7A5TP53BP1
SCHEMBL22467363 0.76 KMT2A (0.39) KDM4EALDH1A1LMNA
SCHEMBL7647703 0.74 MRGPRX4 (0.40) MRGPRX4SLC7A5L3MBTL1SMN1; SMN2

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