SCHEMBL11780600

SCHEMBL11780600

OCCOC1CCCC1O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.36
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30
NPY4R P50391 1/20 0.30
NPY5R Q15761 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
SCHEMBL17635975 0.95 GSR (0.41) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL30449737 0.93 GSR (0.42) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL11128856 0.93 GSR (0.42) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL22633362 0.85 TSHR (0.33)
SCHEMBL14646342 0.85 TSHR (0.33)
SCHEMBL22653068 0.85 TSHR (0.33)
SCHEMBL18928412 0.83 GSR (0.45) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL15973213 0.83 GSR (0.38) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL22633347 0.80 TSHR (0.33)
SCHEMBL22633350 0.80 TSHR (0.33)

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
US-4054594-A Separation of diastereomers UNIVERSITY OF CHICAGO (US) 1977-10-18 US disclosed