SCHEMBL2654450

SCHEMBL2654450

Cc1cc(OCC(C)(C)CCc2ccc(C(=O)NCCC(=O)O)s2)cc(C)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.47
MCL1 Q07820 1/20 0.42
PPARD Q03181 5/20 0.40
PPARA Q07869 4/20 0.40
PPARG P37231 3/20 0.40
KMT2A Q03164 1/20 0.37
GIPR P48546 1/20 0.36
MAPT P10636 1/20 0.36
GCG P01275 1/20 0.35

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
SCHEMBL2653427 0.93 GCGR (0.40) GCGRMCL1PPARDPPARAPPARG
SCHEMBL2654243 0.92 GCGR (0.47) GCGRMCL1PPARDPPARAPPARG
SCHEMBL2654428 0.90 GCGR (0.44) GCGRMCL1PPARDPPARAPPARG
SCHEMBL2653785 0.90 PPARA (0.41) GCGRMCL1PPARDPPARAPPARG
SCHEMBL2652922 0.88 GCGR (0.46) GCGRMCL1PPARDPPARAPPARG
SCHEMBL2652620 0.87 GCGR (0.46) GCGRMCL1PPARDPPARAPPARG
SCHEMBL2666451 0.87 GCGR (0.48) GCGRMCL1PPARDPPARAPPARG
SCHEMBL2652586 0.87 GCGR (0.45) GCGRMCL1PPARDPPARAPPARG
SCHEMBL2655204 0.85 GCGR (0.42) GCGRMCL1PPARDPPARAPPARG
SCHEMBL2653760 0.85 GCGR (0.50) GCGRMCL1PPARDPPARAPPARG

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-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