SCHEMBL2653785

SCHEMBL2653785

CC(C)(CCc1ccc(C(=O)NCCC(=O)O)s1)COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.41
PPARD Q03181 6/20 0.41
PPARG P37231 5/20 0.41
GCGR P47871 8/20 0.40
KMT2A Q03164 1/20 0.40
GIPR P48546 1/20 0.39
MCL1 Q07820 1/20 0.38
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PTPN1 P18031 1/20 0.37
ADCY6 O43306 1/20 0.37
ADCY3 O60266 1/20 0.37
ADCY9 O60503 1/20 0.37
ADCY5 O95622 1/20 0.37
ADCY8 P40145 1/20 0.37
ADCY7 P51828 1/20 0.37
ADCY2 Q08462 1/20 0.37
ADCY1 Q08828 1/20 0.37
ADCY4 Q8NFM4 1/20 0.37

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
SCHEMBL2655151 0.92 PPARA (0.39) PPARAPPARDPPARGKMT2A
SCHEMBL2655342 0.91 DGAT1 (0.41) PPARAPPARDPPARGGCGRKMT2A
SCHEMBL2654631 0.91 KMT2A (0.41) PPARAPPARDPPARGGCGRKMT2A
SCHEMBL2654428 0.90 GCGR (0.44) PPARAPPARDPPARGGCGRMCL1
SCHEMBL2654450 0.90 GCGR (0.47) PPARAPPARDPPARGGCGRKMT2A
SCHEMBL2653887 0.87 PPARA (0.42) PPARAPPARDPPARGGCGRKMT2A
SCHEMBL2653246 0.86 FFAR4 (0.43) PPARAPPARDPPARGGCGRKMT2A
SCHEMBL2652510 0.85 FFAR4 (0.42) PPARAPPARDPPARGGCGRKMT2A
SCHEMBL2666511 0.85 PPARD (0.47) PPARAPPARDPPARGGCGRKMT2A
SCHEMBL2653599 0.84 FFAR4 (0.41) PPARAPPARDPPARGGCGRKMT2A

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