SCHEMBL2653558

SCHEMBL2653558

COC(=O)c1ccc(CCCCCCCSc2ccc(Br)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.56
CYP4F2 P78329 1/20 0.56
PLA2G4B P0C869 2/20 0.47
PLA2G4A P47712 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PLA2G2A P14555 1/20 0.46
CCR6 P51684 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
HSP90AA1 P07900 2/20 0.43
KCNH2 Q12809 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL1796551 0.82 MAPT (0.47) CYP4A11CYP4F2RAB9ALOXL2L3MBTL1
SCHEMBL2653776 0.82 MAPT (0.60) CYP4A11CYP4F2PLA2G4BNPC1RAB9A
SCHEMBL15191795 0.81 MAPT (0.49) CYP4A11CYP4F2NPC1RAB9ALOXL2
SCHEMBL17517566 0.79 CYP4A11 (0.58) CYP4A11CYP4F2RAB9ALOXL2L3MBTL1
SCHEMBL22438891 0.79 THRA (0.58) NPC1RAB9AALDH1A1KMT2AMAPT
SCHEMBL1833382 0.79 CYP4A11 (0.52) CYP4A11CYP4F2LOXL2ALDH1A1LMNA
SCHEMBL10366608 0.78 KMT2A (0.53) CYP4A11CYP4F2RAB9ALOXL2L3MBTL1
SCHEMBL3712221 0.78 MAPT (0.49) CYP4A11CYP4F2NPC1RAB9ALOXL2
SCHEMBL2654795 0.78 CCR6 (0.45) CYP4A11CYP4F2NPC1RAB9ACCR6
SCHEMBL1893005 0.77 CYP4A11 (0.63) CYP4A11CYP4F2CCR6HKDC1LOXL2

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