SCHEMBL2656412

SCHEMBL2656412

COC(=O)CCCC(=O)c1ccc(CCCC(C)(C)COc2ccc(-c3ccc(C(C)(C)C)cc3)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NR1H4 Q96RI1 2/20 0.36
MEN1 O00255 1/20 0.35
EPHX2 P34913 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2654863 0.89 ESRRG (0.45) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL2657400 0.83 GCG (0.50) NPC1RAB9ANR1H4EPHX2ESRRG
SCHEMBL2654602 0.79 SMN1; SMN2 (0.35) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL2654032 0.78 ESRRG (0.47) SMN1; SMN2MAPTNPC1RAB9ANR1H4
SCHEMBL1765723 0.77 GCG (0.46) SMN1; SMN2MAPTLMNAALDH1A1ALOX15
SCHEMBL2656186 0.76 GCG (0.49) MEN1KMT2A
SCHEMBL2654566 0.73 KMT2A (0.54) SMN1; SMN2MAPTLMNAALDH1A1NPC1
SCHEMBL2654622 0.71 GCG (0.53) NPC1RAB9ANR1H4MEN1EPHX2
SCHEMBL2661394 0.71 MEN1 (0.48) SMN1; SMN2MAPTNPC1RAB9AMEN1
SCHEMBL2654487 0.70 MEN1 (0.48) SMN1; SMN2MAPTNPC1RAB9AMEN1

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