SCHEMBL2653886

SCHEMBL2653886

CC(CCc1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)COc1ccc(-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.54
GIPR P48546 1/20 0.48
NR1H4 Q96RI1 6/20 0.47
EPHX2 P34913 5/20 0.47
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
ESRRG P62508 3/20 0.42
NR4A2 P43354 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL2655054 1.00 GCGR (0.54) GCGRGIPRNR1H4EPHX2LMNA
SCHEMBL2655312 1.00 GCGR (0.54) GCGRGIPRNR1H4EPHX2LMNA
SCHEMBL2655396 0.91 NR1H4 (0.46) GCGRGIPRNR1H4EPHX2LMNA
SCHEMBL2655270 0.85 GCGR (0.53) GCGRGIPRNR1H4EPHX2NPC1
SCHEMBL2654483 0.85 RXRA (0.60) NR1H4EPHX2NR4A2RXRARXRB
SCHEMBL2657119 0.83 NR1H4 (0.47) GCGRNR1H4EPHX2NPC1RAB9A
SCHEMBL2654353 0.82 NR1H4 (0.54) GCGRGIPRNR1H4EPHX2NPC1
SCHEMBL2656103 0.81 GCGR (0.43) GCGRGIPREPHX2
SCHEMBL2655101 0.79 ESRRG (0.49) NR1H4EPHX2NPC1RAB9AMEN1
SCHEMBL2655364 0.77 GCGR (0.51) GCGRNR1H4EPHX2MAPTNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed