SCHEMBL8778645

SCHEMBL8778645

CCCCC(C)(CCCC)OC(=O)CCCCC(=O)OC(C)(CCCC)CCCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.46
DGKA P23743 1/20 0.45
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.38
AKR1B1 P15121 1/20 0.38
DNM1 Q05193 1/20 0.38
NAAA Q02083 1/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL10464186 0.94 PAM (0.38) PAMDGKALMNACES2CES1
SCHEMBL20918460 0.93 PAM (0.49) PAMDGKALMNAMAPTMAPK1
SCHEMBL8778649 0.93 AKR1B1 (0.52) PAMLMNAMAPTTSHRALDH1A1
SCHEMBL16010009 0.92 DGKA (0.52) PAMDGKALMNAMAPTMAPK1
SCHEMBL16010447 0.92 DGKA (0.52) PAMDGKALMNAMAPTMAPK1
SCHEMBL14696280 0.92 DGKA (0.52) PAMDGKALMNAMAPTMAPK1
SCHEMBL17995986 0.92 DGKA (0.52) PAMDGKALMNAMAPTMAPK1
SCHEMBL14695711 0.92 DGKA (0.52) PAMDGKALMNAMAPTMAPK1
SCHEMBL21248002 0.92 DGKA (0.52) PAMDGKALMNAMAPTMAPK1
SCHEMBL268637 0.92 DGKA (0.52) PAMDGKALMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813522-A1 SOLID DIACYL ORGANIC PEROXIDE DISPERSIONS Akzo Nobel N.V. (NL) 1997-12-29 EP disclosed
US-5690856-A PASTE STABILIZER AKZO NOBEL N.V. (NL) 1997-11-25 US disclosed
WO-1996027586-A1 SOLID DIACYL ORGANIC PEROXIDE DISPERSIONS AKZO NOBEL N.V. (NL) 1996-09-12 WO disclosed
US-5250492-A Mixture of color former stabilized with complexing agent, color developer, pressure-rupturable microcapsules containing solvent THE STANDARD REGISTER COMPANY (US) 1993-10-05 US disclosed