SCHEMBL2652879

SCHEMBL2652879

C=CCc1cc(C(=O)NCCC(=O)O)ccc1OCCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.47
PPARA Q07869 6/20 0.47
PPARG P37231 4/20 0.45
GCGR P47871 3/20 0.42
EPHX2 P34913 1/20 0.42
GIPR P48546 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL2655041 0.85 PPARD (0.50) PPARDPPARAPPARGGCGREPHX2
SCHEMBL2652102 0.85 PPARD (0.49) PPARDPPARAPPARGGCGREPHX2
SCHEMBL2653326 0.82 MEN1 (0.57) GCGREPHX2GIPR
SCHEMBL2652593 0.82 MEN1 (0.57) GCGREPHX2GIPR
SCHEMBL2655721 0.81 MEN1 (0.56) GCGREPHX2GIPR
SCHEMBL2651906 0.81 MEN1 (0.56) GCGREPHX2GIPR
SCHEMBL2653574 0.80 MEN1 (0.55) GCGREPHX2GIPR
SCHEMBL2654985 0.80 MEN1 (0.55) GCGREPHX2GIPR
SCHEMBL2661613 0.80 MEN1 (0.55) GCGREPHX2GIPR
SCHEMBL2652886 0.80 MEN1 (0.55) GCGREPHX2GIPR

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