SCHEMBL8998749

SCHEMBL8998749

CCCCCCCCCCCCCOC(=O)CCC(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(C(=O)OCCCCCCCCCCCCC)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.37
HTR2C P28335 1/20 0.36
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
PRKCA P17252 5/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOD1 Q9Y239 1/20 0.34
GBA2 Q9HCG7 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 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
SCHEMBL8998723 0.95 NAAA (0.37) EPHX2HTR2CNAAAPRKCAMAPT
SCHEMBL13601679 0.87 NPSR1 (0.40) EPHX2HTR2CNAAAPRKCAMAPT
SCHEMBL1310194 0.83 NAAA (0.41) EPHX2HTR2CNAAADGKAPRKCA
SCHEMBL8948993 0.82 HTR2C (0.47) EPHX2HTR2CNAAADGKAPRKCA
SCHEMBL8948986 0.82 HTR2C (0.47) EPHX2HTR2CNAAADGKAPRKCA
SCHEMBL8948960 0.82 HTR2C (0.47) EPHX2HTR2CNAAADGKAPRKCA
SCHEMBL379498 0.82 NPSR1 (0.40) EPHX2NAAAPRKCAMAPTMAPK1
SCHEMBL13601677 0.81 NPSR1 (0.37) EPHX2NAAAPRKCAMAPTMAPK1
SCHEMBL14840402 0.81 NPSR1 (0.39) EPHX2HTR2CNAAAPRKCAMAPT
SCHEMBL7565413 0.81 NPSR1 (0.39) EPHX2HTR2CNAAAPRKCAMAPT

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
EP-0483400-B1 Stabilized chlorinated resin composition ASAHI DENKA KOGYO KK (JP) 1996-09-11 EP disclosed
US-5356981-A An inorganic copper compound adsorbed into hydrotalcite; polyvinyl chloride ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1994-10-18 US disclosed
EP-0483400-A1 Stabilized chlorinated resin composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1992-05-06 EP disclosed