SCHEMBL27779307

SCHEMBL27779307

CCCC(=O)OCCCCN=C=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
NAAA Q02083 1/20 0.43
DGKA P23743 1/20 0.43
HTR2C P28335 1/20 0.42
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RAD52 P43351 1/20 0.38
FAAH O00519 1/20 0.37
DNM1 Q05193 1/20 0.37
EPHX2 P34913 1/20 0.35
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RECQL P46063 1/20 0.34
MAPK1 P28482 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL27681316 0.89 PRSS1 (0.64) PRSS1PRSS2PRSS3NAAADGKA
SCHEMBL15976519 0.87 DGKA (0.42) PRSS1PRSS2PRSS3NAAADGKA
SCHEMBL10481986 0.87 PRSS1 (0.49) PRSS1PRSS2PRSS3NAAADGKA
SCHEMBL10391622 0.87 PRSS1 (0.41) PRSS1PRSS2PRSS3NAAADGKA
SCHEMBL10451645 0.87 DGKA (0.58) PRSS1PRSS2PRSS3NAAADGKA
SCHEMBL11438853 0.87 DGKA (0.58) PRSS1PRSS2PRSS3NAAADGKA
SCHEMBL4106139 0.86 DGKA (0.52) PRSS1PRSS2PRSS3NAAADGKA
SCHEMBL11577455 0.86 PRSS1 (0.51) PRSS1PRSS2PRSS3NAAADGKA
SCHEMBL10392177 0.86 PRSS1 (0.51) PRSS1PRSS2PRSS3NAAADGKA
SCHEMBL28048198 0.85 PRSS1 (0.55) PRSS1PRSS2PRSS3NAAADGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101671423-A Functionalized polyurethane resin, method for the production thereof, and use thereof CONSTR RES & TECH GMBH 2010-03-17 CN disclosed
CN-101671422-A Functionalized polyurethane resin, method for the production thereof, and use thereof CONSTR RES & TECH GMBH 2010-03-17 CN disclosed
CN-101553514-A Functionalized polyurethane resins, method for the production thereof and use thereof CONSTR RES & TECH GMBH (DE) 2009-10-07 CN disclosed