SCHEMBL19201307

SCHEMBL19201307

O=C(O)CO[C@@H]1C#CCCCCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.33
LMNA P02545 1/20 0.31
PTGDR Q13258 3/20 0.30
PTGER2 P43116 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
SCHEMBL2618031 1.00 PTGDR2 (0.33) PTGDR2LMNAPTGDRPTGER2
SCHEMBL30153489 1.00 PTGDR2 (0.33) PTGDR2LMNAPTGDRPTGER2
SCHEMBL31650890 0.98 PTGDR2 (0.30) PTGDR2
SCHEMBL13464242 0.85 HTT (0.32)
SCHEMBL15078950 0.85 NPSR1 (0.31)
SCHEMBL18106103 0.85
SCHEMBL22207757 0.84 BBOX1 (0.33)
SCHEMBL13154130 0.83 CES2 (0.32)
SCHEMBL17525150 0.83 LMNA (0.36) PTGDR2LMNA
SCHEMBL18958958 0.82 EPHX2 (0.36) PTGDR2PTGDR

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
WO-2017132103-A2 PHOSPHONATE LINKERS AND THEIR USE TO FACILITATE CELLULAR RETENTION OF COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-08-03 WO disclosed