SCHEMBL8418807

SCHEMBL8418807

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
DGKA P23743 1/20 0.46
HTR2C P28335 1/20 0.45
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 2/20 0.43
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
EPHX1 P07099 1/20 0.40
DNM1 Q05193 1/20 0.40
TSHR P16473 3/20 0.39
CES2 O00748 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL8417228 1.00 NAAA (0.50) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL8417188 1.00 NAAA (0.50) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL9723691 0.94 NAAA (0.50) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL2232723 0.84 NAAA (0.53) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL8417157 0.84 NAAA (0.53) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL8418803 0.84 NAAA (0.53) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL21257057 0.83 NAAA (0.51) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL2918666 0.81 ALDH1A1 (0.40) NAAADGKAHTR2CFAAHPRSS1
SCHEMBL14522676 0.79 NAAA (0.58) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL42509 0.79 NAAA (0.58) NAAADGKAHTR2CRAD52NPSR1

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