SCHEMBL27870446

SCHEMBL27870446

CCC(CCCC(C)(C)C)C(=O)OO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.50
CA1 P00915 4/20 0.50
MAPK1 P28482 1/20 0.41
ATM Q13315 2/20 0.36
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 3/20 0.33
CPB2 Q96IY4 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL20537417 0.92 CA2 (0.46) CA2CA1MAPK1ATMGAA
SCHEMBL1505758 0.83 CA2 (0.70) CA2CA1MAPK1ATMGAA
SCHEMBL900354 0.83 CA2 (0.46) CA2CA1MAPK1ATMGAA
SCHEMBL1240625 0.83 CA2 (0.42) CA2CA1MAPK1
SCHEMBL1581311 0.82 CA2 (0.44) CA2CA1ATML3MBTL1
SCHEMBL29032847 0.82 CA2 (0.62) CA2CA1MAPK1ATMGAA
SCHEMBL7209780 0.80 CA2 (0.44) CA2CA1MAPK1ATMGAA
SCHEMBL3658743 0.80 CA2 (0.60) CA2CA1MAPK1
SCHEMBL8419393 0.80 CA2 (0.60) CA2CA1MAPK1
SCHEMBL27992289 0.80 CA2 (0.50) CA2CA1MAPK1ATMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103906781-B The dispersion being formed by liquid phase and solid phase BASF SE (DE) 2016-05-04 CN disclosed
CN-103906781-A Dispersion formed from liquid phase and solid phase BASF SE 2014-07-02 CN disclosed
CN-103890047-A Polyether alcohols comprising particles BASF SE 2014-06-25 CN disclosed
CN-102666625-A Dimensionally stable polyurethane foam moldings BASF SE 2012-09-12 CN disclosed
CN-102470629-A Method for producing a foam composite element BAYER MATERIALSCIENCE AG 2012-05-23 CN disclosed