SCHEMBL8948530

SCHEMBL8948530

Nc1ccc(Cl)c2c1OCC2=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PSMB5 P28074 1/20 0.33
PARP1 P09874 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL91637 0.78 CES1 (0.40) PSMB5PARP1
SCHEMBL11189590 0.74 CES1 (0.36) PSMB5PARP1
SCHEMBL8948723 0.71 MAPK1 (0.35) TDP1
SCHEMBL2480784 0.70 MAOB (0.32) ADORA2AMAPTGAA
SCHEMBL30954241 0.70 PSMB5 (0.33) PSMB5PARP1
SCHEMBL86812 0.68 PDE7A (0.40) MAPTLMNAMEN1NPC1ALDH1A1
SCHEMBL8948529 0.67 ADORA2A (0.38) ADORA2AMAPTTHRBMEN1NPC1
SCHEMBL21603443 0.66 CYP3A4 (0.35) MAPTLMNAALDH1A1TDP1
SCHEMBL8948579 0.66 ADORA2A (0.40) ADORA2AMAPTTHRBMEN1NPC1
SCHEMBL17843994 0.66 GAA (0.44) ADORA2AMAPTALDH1A1PARP1GAA

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
US-5521147-A HERBICIDES FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1995005079-A1 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS FMC CORPORATION (US) 1995-02-23 WO disclosed