SCHEMBL1404264

SCHEMBL1404264

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.38
CA1 P00915 4/20 0.38
MAPK1 P28482 1/20 0.37
CTSK P43235 3/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31

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
SCHEMBL1404258 0.97 CA2 (0.36) CA2CA1MAPK1
SCHEMBL2516488 0.86 CA2 (0.42) CA2CA1TRPV1
SCHEMBL1404263 0.83 CA2 (0.36) CA2CA1MAPK1CTSKTSHR
SCHEMBL1404257 0.80 CA2 (0.34) CA2CA1MAPK1CTSK
SCHEMBL28456703 0.79 CA2 (0.41) CA2CA1MAPK1
SCHEMBL1404250 0.78 CA2 (0.39) CA2CA1MAPK1CTSKTSHR
SCHEMBL28608094 0.78 CTSK (0.36) CA2CA1MAPK1CTSK
SCHEMBL2516490 0.77 GPR84 (0.43) CA2MAPK1
SCHEMBL29191769 0.76 TSHR (0.51) CA2CA1MAPK1CTSKTSHR
SCHEMBL588001 0.76 CA2 (0.37) CA2CA1MAPK1CTSKTSHR

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-2291430-A1 METHODS FOR BRANCHING PHA USING THERMOLYSIS METABOLIX, INC. (US) 2011-03-09 EP claimed
WO-2010008447-A1 METHODS FOR BRANCHING PHA USING THERMOLYSIS METABOLIX, INC. (US) 2010-01-21 WO claimed
CN-106010343-A Protective film easy to recycle 斯迪克新型材料(江苏)有限公司 2016-10-12 CN disclosed
CN-106010341-A pressure sensitive adhesive tape for surface protection 斯迪克新型材料(江苏)有限公司 2016-10-12 CN disclosed
CN-1151180-C Amine functional SAN 2004-05-26 CN disclosed
CN-1281471-A Amine functional SAN BAYER AG (US) 2001-01-24 CN disclosed