SCHEMBL22350147

SCHEMBL22350147

OC(CCc1ccccc1)CCC1CCC[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.49
PTGFR P43088 1/20 0.49
PTGER2 P43116 1/20 0.49
SLC18A2 Q05940 1/20 0.45
SLCO2A1 Q92959 1/20 0.44
SCN9A Q15858 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44

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
SCHEMBL22350151 1.00 PTGER1 (0.49) PTGER1PTGFRPTGER2SLC18A2SLCO2A1
SCHEMBL27516839 0.99 PTGER1 (0.48) PTGER1PTGFRPTGER2SLC18A2SLCO2A1
SCHEMBL18440461 0.82 SLC18A2 (0.54) SLC18A2
SCHEMBL14449247 0.79 PTGFR (0.52) PTGER1PTGFRPTGER2SLCO2A1LTB4R
SCHEMBL11474308 0.79 SLC18A3 (0.51) SLC18A2
SCHEMBL4256995 0.78 LTB4R (0.53) PTGER1PTGFRPTGER2SLC18A2SLCO2A1
SCHEMBL31354792 0.77 LTB4R (0.52) PTGER1PTGFRPTGER2SLC18A2LTB4R
SCHEMBL13568632 0.77 SLC18A3 (0.49) SLC18A2
SCHEMBL11724925 0.76 PTGFR (0.55) PTGER1PTGFRPTGER2SLCO2A1LTB4R
SCHEMBL14626799 0.75 PTGFR (0.51) PTGER1PTGFRPTGER2SLCO2A1

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
EP-2454227-B1 SYNTHESIS OF PROSTANOIDS PATHEON API SERVICES INC (US) 2020-08-19 EP disclosed