SCHEMBL2652255

SCHEMBL2652255

CC(C)(C)[C@H](CC(=O)O)NC(=O)c1ccc(OCCCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.49
S1PR3 Q99500 3/20 0.49
S1PR4 O95977 2/20 0.49
S1PR5 Q9H228 2/20 0.49
PPARG P37231 4/20 0.49
FFAR1 O14842 2/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HRH3 Q9Y5N1 1/20 0.45
MCHR1 Q99705 1/20 0.44
ADAMTS4 O75173 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
BCL2 P10415 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL2270067 0.77 ALDH1A1 (0.47) NPC1RAB9AADAMTS4ADAMTS5MAPT
SCHEMBL2651560 0.76 S1PR1 (0.62) S1PR1S1PR3S1PR5FFAR1NPC1
SCHEMBL2652250 0.74 NPC1 (0.56) S1PR1S1PR3S1PR4S1PR5PPARG
SCHEMBL5660957 0.73 PPARG (0.81) PPARGPPARDPPARA
SCHEMBL2654593 0.72 NPC1 (0.59) S1PR1S1PR3NPC1RAB9AMEN1
SCHEMBL6031191 0.71 ITGB3 (0.64) ITGB3ITGA2BRAB9AMEN1KMT2A
SCHEMBL1122857 0.71 GPR132 (0.67) PPARGITGB3ITGA2BRAB9A
SCHEMBL27659028 0.71 GPR132 (0.67) PPARGITGB3ITGA2BRAB9A
SCHEMBL27658965 0.71 GAA (0.69) PPARGITGB3ITGA2BRAB9AMEN1
SCHEMBL1122645 0.71 GAA (0.69) PPARGITGB3ITGA2BRAB9AMEN1

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed