SCHEMBL9518709

SCHEMBL9518709

OCCCCCCc1ccccc1C1OCCO1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.37
CYSLTR1 Q9Y271 2/20 0.37
LIPG Q9Y5X9 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
TBXAS1 P24557 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MGLL Q99685 1/20 0.30
BCHE P06276 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL8378247 0.86 TDP1 (0.34) TDP1
SCHEMBL14465955 0.85 CYSLTR2 (0.36) CYSLTR2CYSLTR1LIPG
SCHEMBL9520131 0.84 CYSLTR2 (0.34) CYSLTR2CYSLTR1LIPG
SCHEMBL11342700 0.79 APOBEC3G (0.38) TDP1
SCHEMBL29088975 0.77 MAPK14 (0.33) BCHE
SCHEMBL9950873 0.76 CEL (0.47) CYSLTR2CYSLTR1BCHE
SCHEMBL2650677 0.75 POLB (0.35)
SCHEMBL2178352 0.74 LIPG (0.47) LIPGTBXAS1TDP1MGLLBCHE
SCHEMBL9949872 0.74 CEL (0.46) CYSLTR2CYSLTR1BCHE
SCHEMBL6156151 0.73 APOBEC3G (0.35) TDP1

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-0536310-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1993-04-14 EP disclosed
EP-0536310-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1993-02-05 EP disclosed
WO-1992000279-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1992-01-09 WO disclosed
US-4996214-A Respiratory systyem disorders SMITHKLINE BEECHAM CORPORATION (US) 1991-02-26 US disclosed