SCHEMBL20180124

SCHEMBL20180124

COCCC(O)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.45
ADRB2 P07550 8/20 0.45
ADRB1 P08588 7/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HPGD P15428 1/20 0.44
AOC3 Q16853 1/20 0.44
SLC2A1 P11166 3/20 0.44
ACP3 P15309 1/20 0.41
GLA P06280 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
SCHEMBL14091149 0.86 SLC6A2 (0.50) ADRB3ADRB2ADRB1SLC6A2SLC6A4
SCHEMBL24615892 0.86 SLC6A2 (0.50) ADRB3ADRB2ADRB1SLC6A2SLC6A4
SCHEMBL16959061 0.83 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3HPGDAOC3
SCHEMBL13849942 0.81 ADRB1 (0.48) ADRB3ADRB2ADRB1SLC2A1ACP3
SCHEMBL14402491 0.81 ADRB1 (0.48) ADRB3ADRB2ADRB1SLC2A1ACP3
SCHEMBL13849930 0.81 ADRB1 (0.48) ADRB3ADRB2ADRB1SLC2A1ACP3
SCHEMBL6690481 0.81 ADRB1 (0.48) ADRB3ADRB2ADRB1SLC2A1ACP3
SCHEMBL281883 0.80 IDO1 (0.48) ADRB3ADRB2ADRB1SLC2A1ACP3
SCHEMBL3156406 0.80 IDO1 (0.48) ADRB3ADRB2ADRB1SLC2A1ACP3
SCHEMBL282798 0.80 IDO1 (0.48) ADRB3ADRB2ADRB1SLC2A1ACP3

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
WO-2018094148-A1 INHIBITORS OF CD73-MEDIATED IMMUNOSUPPRESSION ARCUS BIOSCIENCES, INC. (US) 2018-05-24 WO disclosed