SCHEMBL2806800

SCHEMBL2806800

CCCCC(CC)C(=O)OOC(C)(C)c1ccccc1C(C)(C)OOC(=O)C(CC)CCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.53
CA1 P00915 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
XBP1 P17861 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.39
PRSS1 P07477 2/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CTSG P08311 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
SCHEMBL2810637 0.90 CA1 (0.36) CA2CA1L3MBTL1GAAXBP1
SCHEMBL9453789 0.80 GAA (0.51) CA2CA1L3MBTL1GAAXBP1
SCHEMBL8031491 0.80 CA2 (0.45) CA2CA1L3MBTL1GAAXBP1
SCHEMBL210333 0.78 CA2 (0.61) CA2CA1L3MBTL1GAAXBP1
Benzoyl Peroxide SCHEMBL8532839 0.78 ALDH1A1 (0.46) CA2CA1L3MBTL1GAAXBP1
SCHEMBL11581637 0.78 ALDH1A1 (0.49) CA2CA1L3MBTL1GAAXBP1
SCHEMBL10714547 0.77 CA2 (0.56) CA2CA1L3MBTL1GAAXBP1
SCHEMBL631533 0.76 CA2 (0.73) CA2CA1L3MBTL1GAAXBP1
SCHEMBL10933511 0.75 LMNA (0.50) CA2CA1L3MBTL1GAAXBP1
SCHEMBL57471 0.75 CA2 (0.58) CA2CA1L3MBTL1GAAXBP1

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
US-20100240782-A1 PROCESS FOR PREPARING STYRENE-BASED (CO)POLYMERS AKZO NOBEL N.V. (NL) 2010-09-23 US disclosed
EP-2212357-A1 PROCESS FOR PREPARING STYRENE-BASED (CO)POLYMERS Akzo Nobel N.V. (NL) 2010-08-04 EP disclosed
WO-2009065799-A1 PROCESS FOR PREPARING STYRENE-BASED (CO)POLYMERS AKZO NOBEL N.V. (NL) 2009-05-28 WO disclosed