SCHEMBL9520131

SCHEMBL9520131

BrCCCCCCc1ccccc1C1OCCO1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
LIPG Q9Y5X9 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
SCHEMBL14465955 0.85 CYSLTR2 (0.36) CYSLTR2CYSLTR1LIPG
SCHEMBL9518709 0.84 CYSLTR2 (0.37) CYSLTR2CYSLTR1LIPG
SCHEMBL11081681 0.79 HTR2C (0.34)
SCHEMBL8378247 0.76 TDP1 (0.34)
SCHEMBL9950873 0.76 CEL (0.47) CYSLTR2CYSLTR1
SCHEMBL9860715 0.74 LIPG (0.42) LIPG
SCHEMBL2177804 0.74 LIPG (0.42) LIPG
SCHEMBL9949872 0.74 CEL (0.46) CYSLTR2CYSLTR1
SCHEMBL9670333 0.72 TDP1 (0.42) LIPG
SCHEMBL11342700 0.72 APOBEC3G (0.38)

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