SCHEMBL2653834

SCHEMBL2653834

COC(=O)CCNC(=O)c1ccc(CCC(C)CSc2cc(C)c(-c3ccc(C(F)(F)F)cc3)c(C)c2)s1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.36
MAPT P10636 3/20 0.36
GCGR P47871 3/20 0.36
MCL1 Q07820 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARA Q07869 4/20 0.33
PPARG P37231 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.32
POLQ O75417 1/20 0.32
GIPR P48546 1/20 0.32

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
SCHEMBL2661440 0.92 PPARD (0.37) PPARDMAPTGCGRMCL1EPHX2
SCHEMBL2656044 0.92 GCGR (0.42) PPARDGCGRMCL1PPARAPPARG
SCHEMBL2653617 0.87 HPGD (0.38) PPARDMAPTGCGRMCL1EPHX2
SCHEMBL2654086 0.87 GCGR (0.40) PPARDMAPTGCGRMCL1EPHX2
SCHEMBL2653024 0.86 HPGD (0.40) PPARDMAPTGCGRMCL1EPHX2
SCHEMBL2653460 0.86 HPGD (0.41) PPARDMAPTGCGRMCL1EPHX2
SCHEMBL2653185 0.85 MAPT (0.36) PPARDMAPTGCGRMCL1EPHX2
SCHEMBL2654683 0.85 GCGR (0.46) GCGRMCL1GIPR
SCHEMBL2654671 0.85 GCGR (0.39) MAPTGCGRMCL1EPHX2KDM4E
SCHEMBL2656753 0.84 PPARD (0.42) PPARDPPARAPPARG

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 disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed