SCHEMBL2654191

SCHEMBL2654191

Cc1cc(OCC(C)(C)CCc2ccc(C(=O)O)cc2)cc(C)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.42
SRD5A2 P31213 1/20 0.42
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 2/20 0.41
PPARA Q07869 5/20 0.40
PPARG P37231 3/20 0.40
GCGR P47871 2/20 0.40
NR4A2 P43354 2/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
MAOB P27338 1/20 0.39
FFAR1 O14842 1/20 0.39
BCL2 P10415 1/20 0.39

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
SCHEMBL2655395 0.90 GCGR (0.41) PPARDPPARAPPARGGCGRMRGPRX4
SCHEMBL2653584 0.87 GCGR (0.56) PPARDPPARAPPARGGCGR
SCHEMBL2654628 0.86 GCGR (0.43) PPARDPPARAPPARGGCGR
SCHEMBL2655103 0.84 GCGR (0.47) PPARDPPARAPPARGGCGR
SCHEMBL2654727 0.82 GCGR (0.55) PPARDPPARAPPARGGCGR
SCHEMBL2655868 0.79 GCGR (0.46) PPARDPPARAGCGR
SCHEMBL2655611 0.79 GCGR (0.60) GCGR
SCHEMBL2655300 0.78 GCGR (0.53) GCGR
SCHEMBL2654950 0.78 GCGR (0.46) GCGR
SCHEMBL3040148 0.78 PPARD (0.42) PPARDSRD5A2RXRARXRBRXRG

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-1957068-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly & Company (US) 2008-08-20 EP disclosed
WO-2007120270-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-10-25 WO disclosed