SCHEMBL2652586

SCHEMBL2652586

Cc1cc(OCCCCCc2ccc(C(=O)NCCC(=O)O)s2)cc(C)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.45
MCL1 Q07820 2/20 0.43
PPARA Q07869 4/20 0.41
PPARD Q03181 3/20 0.41
PPARG P37231 3/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PRNP P04156 1/20 0.39
RECQL P46063 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GCG P01275 3/20 0.38
CHRM5 P08912 1/20 0.38
GLP1R P43220 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL2652620 0.99 GCGR (0.46) GCGRMCL1PPARAPPARDPPARG
SCHEMBL2652922 0.97 GCGR (0.46) GCGRMCL1PPARAPPARDPPARG
SCHEMBL2652772 0.92 HPGD (0.42) GCGRMCL1PPARAPPARDPPARG
SCHEMBL2654422 0.92 GCGR (0.49) GCGRMCL1PPARAPPARDPPARG
SCHEMBL2653083 0.92 HPGD (0.41) GCGRMCL1PPARAPPARDPPARG
SCHEMBL2652221 0.91 GCGR (0.50) GCGRMCL1PPARAPPARDPPARG
SCHEMBL2655313 0.90 GCGR (0.45) GCGRMCL1PPARAPPARDPPARG
SCHEMBL2654118 0.90 FFAR4 (0.42) GCGRMCL1
SCHEMBL2654749 0.89 GCGR (0.46) GCGRMCL1PPARAPPARDPPARG
SCHEMBL2653931 0.89 HPGD (0.39) GCGRMCL1PPARAPPARDPPARG

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 4 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 claimed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO claimed
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