SCHEMBL2651035

SCHEMBL2651035

COc1ccc(CCCCCCCc2ccc(C(=O)NCCC(=O)O)cc2)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.60
PPARD Q03181 1/20 0.60
PPARG P37231 1/20 0.56
GCGR P47871 12/20 0.53
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
GIPR P48546 3/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL2652804 0.93 PPARA (0.52) PPARAPPARDPPARGGCGRROCK2
SCHEMBL2653591 0.85 EPHX2 (0.56) PPARAPPARDGCGRGIPR
SCHEMBL20613278 0.82 PPARA (0.64) PPARAPPARDPPARG
SCHEMBL2270623 0.81 GCGR (0.59) GCGRGIPR
SCHEMBL2270627 0.81 GCGR (0.59) GCGRGIPR
SCHEMBL2652102 0.80 PPARD (0.49) PPARAPPARDPPARGGCGRROCK2
SCHEMBL2652659 0.80 PPARD (0.52) PPARAPPARDPPARGGCGRROCK2
SCHEMBL2653422 0.80 PPARD (0.51) PPARAPPARDPPARGGCGR
SCHEMBL2653894 0.79 FFAR1 (0.48) PPARAPPARDPPARGGCGRROCK2
SCHEMBL2661613 0.79 MEN1 (0.55) GCGRGIPRMAPT

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