SCHEMBL2653422

SCHEMBL2653422

Cc1cc(OCCCCCCCc2ccc(C(=O)NCCC(=O)O)cc2)ccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GCGR P47871 6/20 0.47
RARB P10826 1/20 0.47
S1PR1 P21453 4/20 0.47
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.44
S1PR3 Q99500 1/20 0.44
S1PR5 Q9H228 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL2655916 0.92 PPARD (0.49) PPARDMEN1KMT2AGCGRRARB
SCHEMBL2655125 0.92 GCGR (0.49) GCGRRARBS1PR1FFAR1S1PR3
SCHEMBL2653706 0.91 RARB (0.48) MEN1KMT2AGCGRRARBS1PR1
SCHEMBL2653894 0.90 FFAR1 (0.48) PPARDMEN1KMT2AGCGRS1PR1
SCHEMBL2654924 0.90 RARB (0.52) PPARDMEN1KMT2AGCGRRARB
SCHEMBL2653408 0.90 RARB (0.49) MEN1KMT2ARARBS1PR1FFAR1
SCHEMBL2656350 0.90 PPARD (0.51) PPARDGCGRFFAR1FFAR4PPARG
SCHEMBL2654468 0.90 PPARD (0.51) PPARDMEN1KMT2AGCGRS1PR1
SCHEMBL2654850 0.89 GCGR (0.53) PPARDMEN1KMT2AGCGRS1PR1
SCHEMBL2661613 0.88 MEN1 (0.55) MEN1KMT2AGCGRS1PR1FFAR1

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