SCHEMBL2657514

SCHEMBL2657514

CCC(CCc1ccc(C(=O)OC)cc1)COc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.41
PPARD Q03181 6/20 0.40
EPHX2 P34913 2/20 0.39
PPARG P37231 2/20 0.39
LMNA P02545 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PPARA Q07869 2/20 0.36
RORC P51449 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
RPS6KB1 P23443 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL2656365 0.89 GCGR (0.40) GCGRPPARDPPARGLMNATP53
SCHEMBL2656273 0.86 GCGR (0.54) GCGRPPARDEPHX2PPARGPPARA
SCHEMBL5119133 0.83 GCGR (0.44) GCGRPPARDLMNANR1H2NR1H3
SCHEMBL2655238 0.83 PPARD (0.39) GCGRPPARDPPARGMAPTPPARA
SCHEMBL2662634 0.80 CA1 (0.44) GCGREPHX2LMNA
SCHEMBL2655395 0.80 GCGR (0.41) GCGRPPARDPPARGLMNATP53
SCHEMBL2657513 0.77 LMNA (0.42) GCGRPPARDLMNAMAPTPPARA
SCHEMBL2655653 0.77 LMNA (0.44) GCGRPPARDLMNATP53MAPT
SCHEMBL2655056 0.76 GCGR (0.47) GCGRPPARDMAPTPPARA
SCHEMBL2656103 0.76 GCGR (0.43) GCGRPPARDEPHX2PPARGPPARA

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-1951659-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly & Company (US) 2008-08-06 EP disclosed
WO-2007114855-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-10-11 WO disclosed