SCHEMBL2653079

SCHEMBL2653079

O=C(O)c1ccc(CCCOc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
RARB P10826 7/20 0.53
SRD5A2 P31213 1/20 0.52
MAOB P27338 2/20 0.51
PLA2G4B P0C869 1/20 0.51
NR4A2 P43354 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
PPARD Q03181 2/20 0.50
PPARA Q07869 2/20 0.49
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
MCL1 Q07820 1/20 0.49

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
SCHEMBL2652217 1.00 BCL2 (0.54) BCL2MEN1KMT2ARARBSRD5A2
SCHEMBL2652371 0.96 PLA2G4B (0.56) BCL2MEN1KMT2ARARBSRD5A2
SCHEMBL2653107 0.87 SMN1; SMN2 (0.59) MEN1KMT2ASRD5A2MAOBNR4A2
SCHEMBL2652509 0.86 MEN1 (0.56) MEN1KMT2AMAOBPPARDPPARA
SCHEMBL2652593 0.84 MEN1 (0.57) MEN1KMT2AFFAR1FFAR4
SCHEMBL2653326 0.84 MEN1 (0.57) MEN1KMT2AFFAR1FFAR4
SCHEMBL2654154 0.83 SMN1; SMN2 (0.60) RARBPLA2G4BMRGPRX4PPARDPPARA
SCHEMBL28024642 0.83 SRD5A2 (0.68) MEN1KMT2ARARBSRD5A2
SCHEMBL2652878 0.83 MEN1 (0.55) MEN1KMT2AMAOBPPARDPPARA
SCHEMBL2652916 0.82 GCGR (0.52) MEN1KMT2AMAOBPPARDPPARA

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-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed