SCHEMBL17635975

SCHEMBL17635975

OCCOC1CCCCC1O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.41
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
NPY4R P50391 1/20 0.33
NPY5R Q15761 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL30449737 0.98 GSR (0.42) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL11128856 0.98 GSR (0.42) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL11780600 0.95 GSR (0.36) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL18928412 0.88 GSR (0.45) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL15973213 0.87 GSR (0.38) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL30670411 0.85 TSHR (0.33) MEN1KMT2A
SCHEMBL22633350 0.85 TSHR (0.33) MEN1KMT2A
SCHEMBL22633347 0.85 TSHR (0.33) MEN1KMT2A
SCHEMBL14425013 0.82 GSR (0.41) GSRNPY1RNPY2RNPY4RNPY5R
SCHEMBL20022649 0.82 GSR (0.41) GSRNPY1RNPY2RNPY4RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3000811-B1 Crown Ether Complexes and Methods for Poducing the Same Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2017-11-08 EP disclosed
EP-3000811-A1 Crown ether complexes and methods for poducing the same Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2016-03-30 EP disclosed