SCHEMBL17398295

SCHEMBL17398295

CC(=O)CCC(O)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.44
ADRB1 P08588 10/20 0.44
ADRB2 P07550 7/20 0.44
SLC2A1 P11166 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 2/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 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
SCHEMBL15590888 0.83 L3MBTL1 (0.49) ADRB3ADRB1ADRB2SLC2A1MEN1
SCHEMBL16788643 0.83 L3MBTL1 (0.49) ADRB3ADRB1ADRB2SLC2A1MEN1
SCHEMBL14402491 0.80 ADRB1 (0.48) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL13849930 0.80 ADRB1 (0.48) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL13849942 0.80 ADRB1 (0.48) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL6690481 0.80 ADRB1 (0.48) ADRB3ADRB1ADRB2SLC2A1IDO1
SCHEMBL13950144 0.79 RIPK1 (0.53)
SCHEMBL3156406 0.79 IDO1 (0.48) ADRB3ADRB1ADRB2SLC2A1MEN1
SCHEMBL282798 0.79 IDO1 (0.48) ADRB3ADRB1ADRB2SLC2A1MEN1
SCHEMBL281883 0.79 IDO1 (0.48) ADRB3ADRB1ADRB2SLC2A1MEN1

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-3164130-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2017-05-10 EP disclosed
WO-2016004136-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME DUFFEY MATTHEW O (US) 2016-01-07 WO disclosed