SCHEMBL2655041

SCHEMBL2655041

Cc1cc(C(=O)NCCC(=O)O)ccc1OCCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.50
PPARA Q07869 5/20 0.50
GCGR P47871 2/20 0.48
PPARG P37231 2/20 0.47
FFAR4 Q5NUL3 3/20 0.46
FFAR1 O14842 1/20 0.46
FFAR2 O15552 1/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
GCG P01275 1/20 0.44
EPHX2 P34913 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
SCHEMBL2652102 0.86 PPARD (0.49) PPARDPPARAGCGRPPARGROCK2
SCHEMBL2652879 0.85 PPARD (0.47) PPARDPPARAGCGRPPARGROCK2
SCHEMBL2652593 0.85 MEN1 (0.57) GCGRFFAR4FFAR1EPHX2
SCHEMBL2653326 0.85 MEN1 (0.57) GCGRFFAR4FFAR1EPHX2
SCHEMBL2653225 0.84 MEN1 (0.46) PPARDPPARAGCGRROCK2ROCK1
SCHEMBL2653591 0.82 EPHX2 (0.56) PPARDPPARAGCGRFFAR1EPHX2
SCHEMBL2655721 0.82 MEN1 (0.56) GCGRFFAR4FFAR1EPHX2
SCHEMBL2651906 0.82 MEN1 (0.56) GCGRFFAR4FFAR1EPHX2
SCHEMBL2652659 0.82 PPARD (0.52) PPARDPPARAGCGRPPARGROCK2
SCHEMBL2654850 0.81 GCGR (0.53) PPARDPPARAGCGRPPARGGCG

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