SCHEMBL2654872

SCHEMBL2654872

CCC(CCc1ccc(C(=O)NCCC(=O)OC)s1)COc1cc(C)c(-c2ccc(C(C)(C)C)cc2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.42
VDR P11473 2/20 0.33
ACKR3 P25106 1/20 0.33
HPGD P15428 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ESRRG P62508 2/20 0.30
MCL1 Q07820 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA2B P08514 1/20 0.30
ESRRB O95718 1/20 0.30
RPS6KB2 Q9UBS0 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2653335 0.93 GCGR (0.50) GCGRVDRACKR3KMT2AMCL1
SCHEMBL2654748 0.88 GCGR (0.37) GCGRHPGDMAPTPPARGPPARD
SCHEMBL2654238 0.87 GCGR (0.43) GCGRVDRACKR3HPGDMAPT
SCHEMBL2653812 0.86 GCGR (0.42) GCGRVDRACKR3HPGDMAPT
SCHEMBL2653233 0.85 GCGR (0.43) GCGRVDRACKR3MAPTMEN1
SCHEMBL2652386 0.85 GCGR (0.42) GCGRVDRACKR3HPGDMAPT
SCHEMBL2666495 0.85 GCGR (0.44) GCGRVDRACKR3MAPTMEN1
SCHEMBL2654307 0.85 HPGD (0.43) GCGRVDRACKR3HPGDMAPT
SCHEMBL2654750 0.84 GCGR (0.38) GCGRHPGDMAPTPPARGPPARD
SCHEMBL2652385 0.84 GCGR (0.43) GCGRVDRACKR3MAPTMEN1

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-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed