SCHEMBL2176308

SCHEMBL2176308

CC(C)(C)OC(=O)NCCC(O)c1cccc(N(CCCCCOCc2ccccc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
BACE1 P56817 4/20 0.39
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
ADRB3 P13945 3/20 0.39
PPARA Q07869 1/20 0.38
IDO1 P14902 1/20 0.37
MAPT P10636 1/20 0.37
CTSS P25774 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL2818137 0.94 L3MBTL1 (0.46) L3MBTL1BACE1ADRB2ADRB1ADRB3
SCHEMBL2177713 0.84 BACE1 (0.44) BACE1IDO1CTSSHTT
SCHEMBL2202484 0.84 L3MBTL1 (0.44) L3MBTL1ADRB2ADRB1ADRB3PPARA
SCHEMBL2207432 0.83 BCHE (0.43) L3MBTL1ADRB2ADRB1ADRB3PPARA
SCHEMBL2158118 0.83 SIGMAR1 (0.43) BACE1IDO1MAPTCTSS
SCHEMBL2178099 0.81 IDO1 (0.42) BACE1IDO1CTSSHTTSYK
SCHEMBL3138728 0.77 L3MBTL1 (0.48) L3MBTL1PPARAIDO1MAPTCTSS
SCHEMBL2818140 0.77 L3MBTL1 (0.50) L3MBTL1PPARAMAPTCTSS
SCHEMBL30958382 0.77 L3MBTL1 (0.60) L3MBTL1PPARAIDO1MAPTCTSS
SCHEMBL2167444 0.77 EPHX1 (0.36) IDO1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2340242-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-06 EP disclosed