SCHEMBL2653848

SCHEMBL2653848

CCc1ccc(-c2ccc(OCCCCCCCc3ccc(C(=O)NCCC(=O)OC)cc3)cc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
PTAFR P25105 1/20 0.41
PTPN11 Q06124 1/20 0.40
S1PR1 P21453 1/20 0.40
TP53 P04637 1/20 0.40
PPARD Q03181 1/20 0.39

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
SCHEMBL2654648 0.92 RARB (0.45) RARBNPC1RAB9AMEN1KMT2A
SCHEMBL2654924 0.92 RARB (0.52) RARBNPC1RAB9AMEN1KMT2A
SCHEMBL2655916 0.90 PPARD (0.49) RARBNPC1RAB9AMEN1KMT2A
SCHEMBL2652991 0.89 NPC1 (0.53) RARBNPC1RAB9AMEN1KMT2A
SCHEMBL2653408 0.84 RARB (0.49) RARBNPC1RAB9AMEN1KMT2A
SCHEMBL2654911 0.84 MEN1 (0.47) NPC1RAB9AMEN1KMT2APPARD
SCHEMBL2653706 0.84 RARB (0.48) RARBNPC1RAB9AMEN1KMT2A
SCHEMBL2655125 0.83 GCGR (0.49) RARBNPC1RAB9AMAPTS1PR1
SCHEMBL2656949 0.82 NPC1 (0.48) RARBNPC1RAB9AMEN1KMT2A
SCHEMBL2653422 0.82 PPARD (0.51) RARBMEN1KMT2AS1PR1PPARD

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