SCHEMBL9711733

SCHEMBL9711733

COc1ccccc1OCC1COC(COCC(=O)O)O1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GLA P06280 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ADRA2C P18825 1/20 0.44
LMNA P02545 1/20 0.43
HTR1A P08908 6/20 0.42
ADRA1D P25100 6/20 0.42
ADRA1A P35348 6/20 0.42
ADRA1B P35368 6/20 0.42
DRD4 P21917 2/20 0.42
PTGIR P43119 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9585535 0.88 ALDH1A1 (0.44) POLBSMN1; SMN2GLAALDH1A1ADRA2C
SCHEMBL9711860 0.83 PKM (0.51) ALDH1A1LMNADRD4PTGIRHPGD
SCHEMBL9712008 0.82 PTPN1 (0.36) POLBSMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL9711938 0.82 PTPN1 (0.38) POLBSMN1; SMN2ALDH1A1PTGIR
SCHEMBL9711750 0.82 POLB (0.43) POLBSMN1; SMN2GLAALDH1A1ADRA2C
SCHEMBL9711940 0.82 PPARA (0.51) POLBSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL9585387 0.81 ALDH1A1 (0.51) POLBSMN1; SMN2GLAALDH1A1ADRA2C
SCHEMBL9711767 0.81 ALDH1A1 (0.46) POLBSMN1; SMN2GLAALDH1A1ADRA2C
SCHEMBL9711754 0.80 POLB (0.43) POLBSMN1; SMN2GLAALDH1A1ADRA2C
SCHEMBL9585096 0.79 ALDH1A1 (0.51) POLBSMN1; SMN2GLAALDH1A1ADRA2C

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
EP-0303227-B1 ETHERS AND THIOETHERS HAVING THERAPEUTICAL ACTIVITY, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-02-05 EP disclosed