SCHEMBL2653776

SCHEMBL2653776

COC(=O)c1ccc(CCCCCCCOc2ccc(Br)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
CYP4A11 Q02928 2/20 0.58
CYP4F2 P78329 1/20 0.58
RAB9A P51151 2/20 0.55
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
LSS P48449 2/20 0.49
PLA2G4B P0C869 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAOB P27338 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FFAR1 O14842 1/20 0.48
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 1/20 0.47
S1PR5 Q9H228 1/20 0.47

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
SCHEMBL834524 0.90 MAPT (0.66) MAPTCYP4A11CYP4F2RAB9AMEN1
SCHEMBL4359850 0.86 MAPT (0.70) MAPTCYP4A11CYP4F2RAB9APLA2G4B
SCHEMBL4376261 0.86 MAPT (0.70) MAPTCYP4A11CYP4F2RAB9APLA2G4B
SCHEMBL4361268 0.85 MAPT (0.72) MAPTCYP4A11CYP4F2RAB9APLA2G4B
SCHEMBL2655200 0.85 PLA2G4B (0.67) CYP4A11CYP4F2PLA2G4BFFAR1
SCHEMBL5054312 0.84 MAPT (0.85) MAPTRAB9APLA2G4BMEN1NPC1
SCHEMBL7424382 0.83 MAPT (0.64) MAPTCYP4A11CYP4F2RAB9APLA2G4B
SCHEMBL27525241 0.83 MAPT (0.59) MAPTCYP4A11CYP4F2RAB9AMEN1
SCHEMBL2653558 0.82 CYP4A11 (0.56) MAPTCYP4A11CYP4F2RAB9APLA2G4B
SCHEMBL24684534 0.81 MAPT (0.74) MAPTRAB9APLA2G4BMEN1NPC1

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