SCHEMBL5724643

SCHEMBL5724643

C=C1OCC1COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.43
ACHE P22303 3/20 0.39
BCHE P06276 1/20 0.39
SLC6A2 P23975 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
HRH4 Q9H3N8 4/20 0.36
HRH3 Q9Y5N1 4/20 0.36

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
SCHEMBL5725152 0.80 TAAR1 (0.50) TAAR1TSHRLMNA
SCHEMBL5663072 0.79 TSHR (0.52) TAAR1TSHRLMNAACHEBCHE
SCHEMBL6053680 0.79 TSHR (0.52) TAAR1TSHRLMNAACHEBCHE
SCHEMBL22110750 0.75 TSHR (0.47) TAAR1TSHRLMNAACHEBCHE
Ethylene SCHEMBL27465209 0.74 LMNA (0.54) TAAR1TSHRLMNASLC6A2HRH4
SCHEMBL153049 0.73 LMNA (0.57) TAAR1TSHRLMNAHRH4HRH3
SCHEMBL306297 0.73 LMNA (0.57) TAAR1TSHRLMNAHRH4HRH3
SCHEMBL715660 0.73 LMNA (0.57) TAAR1TSHRLMNAHRH4HRH3
Formaldehyde SCHEMBL28169267 0.72 LMNA (0.56) TAAR1TSHRLMNASLC6A2HRH4
SCHEMBL6138329 0.72 TSHR (0.52) TAAR1TSHRLMNAACHEBCHE

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-1685127-A1 HETEROCYCLYL-SUBSTITUTED OXETANES FOR THE TREATMENT OF PROLIFERATIVE OR INFECTIOUS DISEASES The University of Connecticut (US) 2006-08-02 EP disclosed
WO-2005051944-A1 HETEROCYCLYL-SUBSTITUTED OXETANES FOR THE TREATMENT OF PROLIFERATIVE OR INFECTIOUS DISEASES UNIVERSITY OF CONNECTICUT (US) 2005-06-09 WO disclosed