SCHEMBL752203

SCHEMBL752203

OCCCCCC1CCOC(c2ccccc2)(C(O)c2ccccc2)O1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL751278 1.00 HTR1A (0.33) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL749587 0.99 HTR1A (0.33) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL750090 0.95 HTR1A (0.34) HTR1AADRA1DADRA1AADRA1BALDH1A1
Methyl Alcohol SCHEMBL748791 0.93 HTR1A (0.33) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL747107 0.90 HTR1A (0.35) HTR1AADRA1DADRA1AADRA1B
SCHEMBL749062 0.90 NAAA (0.38)
SCHEMBL749622 0.88 NAAA (0.36)
SCHEMBL750052 0.88 HTR1A (0.34) HTR1AADRA1DADRA1AADRA1B
SCHEMBL750092 0.88 HTR1A (0.34) HTR1AADRA1DADRA1AADRA1B
SCHEMBL749631 0.87 NAAA (0.34)

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-2152812-B1 DEGASSING COMPOSITIONS FOR CURABLE COATINGS TROY TECHNOLOGY CORP INC (US) 2012-03-21 EP claimed