SCHEMBL8416064

SCHEMBL8416064

CCCCCCCCOC(=O)CC(O)C(=O)OCCCCCC

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.66
NPSR1 Q6W5P4 2/20 0.51
RAD52 P43351 1/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
FAAH O00519 2/20 0.50
DGKA P23743 1/20 0.50
HTR2C P28335 1/20 0.49
EPHX1 P07099 1/20 0.47
TSHR P16473 2/20 0.46
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43

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
SCHEMBL2231096 1.00 NAAA (0.66) NAAANPSR1RAD52MAPTMAPK1
SCHEMBL1055187 1.00 NAAA (0.66) NAAANPSR1RAD52MAPTMAPK1
SCHEMBL1053266 1.00 NAAA (0.66) NAAANPSR1RAD52MAPTMAPK1
SCHEMBL33595 1.00 NAAA (0.66) NAAANPSR1RAD52MAPTMAPK1
SCHEMBL9099483 1.00 NAAA (0.66) NAAANPSR1RAD52MAPTMAPK1
SCHEMBL9242191 1.00 NAAA (0.66) NAAANPSR1RAD52MAPTMAPK1
SCHEMBL9099743 1.00 NAAA (0.66) NAAANPSR1RAD52MAPTMAPK1
SCHEMBL1069145 1.00 NAAA (0.66) NAAANPSR1RAD52MAPTMAPK1
SCHEMBL3911129 1.00 NAAA (0.66) NAAANPSR1RAD52MAPTMAPK1
SCHEMBL749593 1.00 NAAA (0.66) NAAANPSR1RAD52MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0596811-B1 Molded PVC medical device TERUMO CORP (JP) 1999-09-15 EP claimed
US-5454806-A Blend of vinyl chloride-based resin, dialkyl malate and stabilizer; blood bag TERUMO KABUSHIKI KAISHA (JP) 1995-10-03 US claimed
EP-0596811-A1 Molded PVC medical device TERUMO KABUSHIKI KAISHA (JP) 1994-05-11 EP claimed
EP-0596811-B1 Molded PVC medical device TERUMO CORP (JP) 1999-09-15 EP disclosed
US-5454806-A Blend of vinyl chloride-based resin, dialkyl malate and stabilizer; blood bag TERUMO KABUSHIKI KAISHA (JP) 1995-10-03 US disclosed
EP-0596811-A1 Molded PVC medical device TERUMO KABUSHIKI KAISHA (JP) 1994-05-11 EP disclosed