SCHEMBL9711754

SCHEMBL9711754

COc1ccccc1OCC1OCC(CSCC(=O)O)O1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GLA P06280 1/20 0.42
HTR1A P08908 8/20 0.41
ADRA1D P25100 8/20 0.41
ADRA1A P35348 8/20 0.41
ADRA1B P35368 8/20 0.41
LMNA P02545 1/20 0.41
ADRA2C P18825 1/20 0.40
DRD4 P21917 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 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
SCHEMBL9711750 0.91 POLB (0.43) POLBSMN1; SMN2ALDH1A1GLAHTR1A
SCHEMBL9584569 0.84 ALDH1A1 (0.44) POLBSMN1; SMN2ALDH1A1GLAHTR1A
SCHEMBL9712088 0.83 HTR1A (0.40) ALDH1A1GLAHTR1AADRA1DADRA1A
SCHEMBL9711733 0.80 POLB (0.51) POLBSMN1; SMN2ALDH1A1GLAHTR1A
SCHEMBL9585096 0.80 ALDH1A1 (0.51) POLBSMN1; SMN2ALDH1A1GLAHTR1A
SCHEMBL9711767 0.79 ALDH1A1 (0.46) POLBSMN1; SMN2ALDH1A1GLAHTR1A
SCHEMBL9712046 0.79 NOTUM (0.49) ALDH1A1LMNAL3MBTL1HSD17B10GAA
SCHEMBL9711954 0.79 ALDH1A1 (0.40) POLBSMN1; SMN2ALDH1A1GLAHTR1A
SCHEMBL9584274 0.77 ALDH1A1 (0.51) ALDH1A1GLAHTR1AADRA1DADRA1A
SCHEMBL9585261 0.77 ALDH1A1 (0.51) ALDH1A1GLAHTR1AADRA1DADRA1A

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