SCHEMBL7930890

SCHEMBL7930890

CCC(OC(C)OC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
TP53 P04637 1/20 0.32
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LAP3 P28838 2/20 0.31

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
SCHEMBL444377 0.83 SMN1; SMN2 (0.48) SMN1; SMN2SLC1A3SLC1A2SLC1A1TP53
SCHEMBL9483634 0.83 LMNA (0.44) SMN1; SMN2PPARGPPARA
SCHEMBL3206858 0.81 SMN1; SMN2 (0.40) SMN1; SMN2SLC1A3SLC1A2SLC1A1TP53
SCHEMBL26940415 0.81 SMN1; SMN2 (0.40) SMN1; SMN2SLC1A3SLC1A2SLC1A1TP53
Hydrochloric Acid SCHEMBL8688852 0.80
SCHEMBL8686725 0.80
SCHEMBL229118 0.80
Hydrochloric Acid SCHEMBL8686133 0.80
Hydrochloric Acid SCHEMBL8686131 0.80
SCHEMBL8687633 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950078-B1 PERFLUOROETHER-CONTAINING FLUOROELASTOMERS WITH GOOD LOW TEMPERATURE CHARACTERISTICS DYNEON LLC (US) 2001-10-10 EP disclosed
EP-0950078-A1 PERFLUOROETHER-CONTAINING FLUOROELASTOMERS WITH GOOD LOW TEMPERATURE CHARACTERISTICS DYNEON LLC (US) 1999-10-20 EP disclosed
US-5891965-A CURABLE COMPOSITION DYNEON LLC (US) 1999-04-06 US disclosed
WO-1998030631-A1 PERFLUOROETHER-CONTAINING FLUOROELASTOMERS WITH GOOD LOW TEMPERATURE CHARACTERISTICS DYNEON LLC (US) 1998-07-16 WO disclosed