SCHEMBL8418803

SCHEMBL8418803

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 2/20 0.45
TSHR P16473 2/20 0.45
DGKA P23743 1/20 0.44
HTR2C P28335 1/20 0.44
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
CES2 O00748 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL8417157 1.00 NAAA (0.53) NAAARAD52NPSR1FAAHTSHR
SCHEMBL2232723 1.00 NAAA (0.53) NAAARAD52NPSR1FAAHTSHR
SCHEMBL3821286 0.93 ALDH1A1 (0.47) NAAARAD52NPSR1FAAHTSHR
SCHEMBL22579200 0.86 ALDH1A1 (0.33) NAAATSHRDGKAALDH1A1LMNA
SCHEMBL25633770 0.86 NAAA (0.51) NAAARAD52NPSR1FAAHTSHR
SCHEMBL21257057 0.86 NAAA (0.51) NAAARAD52NPSR1FAAHTSHR
SCHEMBL9723691 0.84 NAAA (0.50) NAAARAD52NPSR1FAAHTSHR
SCHEMBL8417188 0.84 NAAA (0.50) NAAARAD52NPSR1FAAHTSHR
SCHEMBL8417228 0.84 NAAA (0.50) NAAARAD52NPSR1FAAHTSHR
SCHEMBL8418807 0.84 NAAA (0.50) NAAARAD52NPSR1FAAHTSHR

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