SCHEMBL4090048

SCHEMBL4090048

O=[C]Cc1ccccc1OCF

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD1 P21728 8/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 2/20 0.36
MCL1 Q07820 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALB P02768 1/20 0.34
TSPO P30536 1/20 0.34
HTR1A P08908 1/20 0.34
CXCL8 P10145 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL4090252 0.81 L3MBTL1 (0.38) L3MBTL1MAPTNPSR1DRD1DRD2
SCHEMBL4090053 0.81 MAPT (0.38) L3MBTL1MAPTNPSR1DRD2KDM4E
SCHEMBL31391959 0.81 ALDH1A1 (0.41) L3MBTL1MAPTNPSR1DRD1DRD2
SCHEMBL910695 0.81 L3MBTL1 (0.59) L3MBTL1MAPTNPSR1KDM4ETDP1
SCHEMBL513917 0.80 SLC6A2 (0.42) L3MBTL1MAPTNPSR1KDM4ESMN1; SMN2
SCHEMBL910377 0.78 L3MBTL1 (0.51) L3MBTL1MAPTNPSR1DRD1DRD2
SCHEMBL7123270 0.78 HTR1A (0.61) L3MBTL1MAPTDRD2KDM4EHPGD
SCHEMBL7662939 0.78 L3MBTL1 (0.46) L3MBTL1MAPTNPSR1DRD1DRD2
SCHEMBL15576954 0.78 L3MBTL1 (0.66) L3MBTL1MAPTNPSR1DRD1DRD2
SCHEMBL8943839 0.77 L3MBTL1 (0.61) L3MBTL1MAPTKDM4EHPGDSMN1; SMN2

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
US-20090170131-A1 Agents for Imaging Apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-07-02 US disclosed