SCHEMBL22901183

SCHEMBL22901183

CC(=O)OCOc1ccc2nc3ccc(=O)cc-3oc2c1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 14/20 0.83
CYP1A2 P05177 1/20 0.72
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
P2RY12 Q9H244 3/20 0.37
F2RL3 Q96RI0 1/20 0.37
CD74 P04233 1/20 0.35
MIF P14174 1/20 0.35

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
SCHEMBL10167873 0.91 APP (1.00) APPCYP1A2PDE3BPDE3AP2RY12
SCHEMBL1104925 0.87 APP (0.80) APPCYP1A2F2RL3
SCHEMBL3974521 0.85 APP (0.72) APPCYP1A2CD74MIF
SCHEMBL1104922 0.85 APP (0.82) APPCYP1A2F2RL3
Ethoxyresorufin SCHEMBL104497 0.84 APP (1.00) APPCYP1A2F2RL3
Ethoxyresorufin SCHEMBL31079400 0.84 APP (1.00) APPCYP1A2F2RL3
SCHEMBL24145151 0.84 APP (0.77) APPCYP1A2F2RL3
SCHEMBL16069679 0.82 APP (0.81) APPCYP1A2F2RL3
SCHEMBL10167880 0.81 APP (1.00) APPCYP1A2MIF
SCHEMBL21211676 0.80 APP (0.70) APPCYP1A2

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-20210018497-A1 BRET SENSOR MOLECULES FOR DETECTING HYDROLASES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2021-01-21 US disclosed