SCHEMBL585972

SCHEMBL585972

[CH2]C[Al](Oc1c(C(C)(C)C)cccc1C(C)(C)C)Oc1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
ALDH1A1 P00352 5/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H4 Q96RI1 1/20 0.31
NLRP3 Q96P20 1/20 0.31
GAA P10253 1/20 0.30
KIF11 P52732 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
SCHEMBL938249 0.82 CA2 (0.40) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL585179 0.79 SMN1; SMN2 (0.41) CA2ALDH1A1SMN1; SMN2
SCHEMBL79258 0.78 CA2 (0.36) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL585173 0.77 CA2 (0.46) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL8760276 0.77 CA2 (0.35) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL937814 0.75 CA2 (0.44) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL938828 0.75 CA2 (0.44) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL585123 0.74 CA2 (0.40) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL76761 0.74 CA2 (0.33) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL6054742 0.74 CA2 (0.33) CA2ALDH1A1GABRA1GABRB2TSHR

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
US-8119749-B2 Method of taking (meth)acrylic ester polymer out of liquid reaction mixture KURARAY CO., LTD. (JP) 2012-02-21 US disclosed
EP-1916262-B1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE KURARAY CO (JP) 2012-02-15 EP disclosed
US-20090118450-A1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE KURARAY CO., LTD. (JP) 2009-05-07 US disclosed
EP-1916262-A1 METHOD OF TAKING (METH)ACRYLIC ESTER POLYMER OUT OF LIQUID REACTION MIXTURE Kuraray Co., Ltd. (JP) 2008-04-30 EP disclosed