SCHEMBL8776236

SCHEMBL8776236

O=C1CC[C@H]([C@@H](O)CO)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.48
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
MANBA O00462 1/20 0.39
THRB P10828 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
CYP1A2 P05177 2/20 0.37
MLNR O43193 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
KCNE1 P15382 1/20 0.32
ADRA2B P18089 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
SCHEMBL8378158 1.00 PRKCA (0.48) PRKCALMNAMAPTMANBATHRB
SCHEMBL8142299 1.00 PRKCA (0.48) PRKCALMNAMAPTMANBATHRB
SCHEMBL12198629 0.89 PRKCA (0.40) PRKCALMNAMAPTMANBATHRB
SCHEMBL12321141 0.89 PRKCA (0.40) PRKCALMNAMAPTMANBATHRB
Butyrolactone SCHEMBL17474433 0.87 PRKCA (0.40) PRKCALMNAMAPTMANBATHRB
SCHEMBL2048950 0.87 PRKCA (0.39) PRKCALMNAMAPTMANBATHRB
SCHEMBL18227268 0.84 PRKCA (0.44) PRKCACA1CA9CYP1A2MLNR
SCHEMBL22911775 0.84 PRKCA (0.44) PRKCACA1CA9CYP1A2MLNR
SCHEMBL10033369 0.84 PRKCA (0.44) PRKCACA1CA9CYP1A2MLNR
SCHEMBL17822577 0.84 PRKCA (0.44) PRKCACA1CA9CYP1A2MLNR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449011-B1 Stereoselective process for the preparation of 2-amino-ethanol derivatives having a central analgesic activity and intermediates thereof ZAMBON SPA (IT) 1997-10-08 EP disclosed
US-5142066-A STEREOSELECTIVE PROCESS FOR THE PREPARATION OF 2-AMINO-ETHANOL DERIVATIVES HAVING A CENTRAL ANALGESIC ACTIVITY AND INTERMIDIATES THEREOF ZAMBON GROUP S.P.A (IT) 1992-08-25 US disclosed
EP-0449011-A2 Stereoselective process for the preparation of 2-amino-ethanol derivatives having a central analgesic activity and intermediates thereof ZAMBON GROUP S.p.A. (IT) 1991-10-02 EP disclosed