SCHEMBL2788481

SCHEMBL2788481

CC(C)(C)OOOC(=O)C(C)(C)C.CCCCC(CC)C(=O)OOOC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.50
CA1 P00915 4/20 0.50
MAPK1 P28482 2/20 0.42
ATM Q13315 2/20 0.38
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 3/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL37317 0.92 CA2 (0.58) CA2CA1MAPK1ATMGAA
Bicarbonate SCHEMBL28738575 0.89 CA2 (0.54) CA2CA1MAPK1ATMGAA
Dodecane SCHEMBL12472594 0.89 CA2 (0.54) CA2CA1MAPK1ATMGAA
Tert-Butyl Hydroperoxide SCHEMBL3448286 0.88 CA2 (0.53) CA2CA1MAPK1ATMGAA
SCHEMBL20142931 0.88 CA2 (0.44) CA2CA1MAPK1ATMGAA
SCHEMBL21834014 0.88 CA2 (0.56) CA2CA1MAPK1ATMGAA
2-Ethylhexanoic Acid SCHEMBL2493057 0.87 CA2 (0.61) CA2CA1MAPK1ATMGAA
Acetic Acid SCHEMBL8858200 0.87 CA2 (0.51) CA2CA1MAPK1ATMGAA
SCHEMBL10753123 0.86 CA2 (0.50) CA2CA1MAPK1ATMGAA
SCHEMBL23036028 0.85 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455596-B2 Method for producing a copolymer for photoresist MARUZEN PETROCHEMICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-20100222526-A1 METHOD FOR PRODUCING A COPOLYMER FOR PHOTORESIST MARUZEN PETROCHEMICAL CO., LTD. (JP) 2010-09-02 US disclosed