SCHEMBL8416067

SCHEMBL8416067

CCCCCCCCC(O)(CC(=O)O)C(=O)OCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
HCAR2 Q8TDS4 2/20 0.42
EPHX1 P07099 1/20 0.42
ACHE P22303 6/20 0.41
TSHR P16473 2/20 0.41
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 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
SCHEMBL14672556 1.00 NAAA (0.44) NAAAHCAR2EPHX1ACHETSHR
SCHEMBL14672443 1.00 NAAA (0.44) NAAAHCAR2EPHX1ACHETSHR
SCHEMBL14672447 1.00 NAAA (0.44) NAAAHCAR2EPHX1ACHETSHR
SCHEMBL14672448 1.00 NAAA (0.44) NAAAHCAR2EPHX1ACHETSHR
SCHEMBL875433 0.92 NAAA (0.48) NAAAHCAR2EPHX1ACHETSHR
SCHEMBL9774204 0.92 NAAA (0.48) NAAAHCAR2EPHX1ACHETSHR
SCHEMBL8133229 0.92 EPHX2 (0.51)
Water SCHEMBL16149369 0.90 NAAA (0.47) NAAAHCAR2EPHX1ACHETSHR
SCHEMBL14672389 0.90 ALDH1A1 (0.42) HCAR2ACHETSHR
SCHEMBL25342942 0.88 NAAA (0.52) NAAAHCAR2EPHX1ACHETSHR

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