SCHEMBL2964585

SCHEMBL2964585

CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CCCCc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
SIGMAR1 Q99720 3/20 0.42
STS P08842 2/20 0.41
CA1 P00915 5/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
KCNH2 Q12809 2/20 0.40
TSHR P16473 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GRIA4 P48058 1/20 0.39
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL2958392 0.95 CA2 (0.48) CA2SMN1; SMN2SIGMAR1STSCA1
SCHEMBL2965263 0.95 CA2 (0.48) CA2SMN1; SMN2SIGMAR1STSCA1
SCHEMBL8131241 0.84 ALDH1A1 (0.52) CA2SMN1; SMN2CA1LMNAHTT
SCHEMBL5403445 0.80 CA2 (0.44) CA2SMN1; SMN2CA1LMNAHTT
SCHEMBL7733592 0.80 ALDH1A1 (0.45) CA2SMN1; SMN2CA1LMNAHTT
SCHEMBL28503721 0.79 CA2 (0.67) CA2SMN1; SMN2CA1LMNAHTT
SCHEMBL4899932 0.79 ALDH1A1 (0.40) CA2CA1LMNAGRIA4HSD11B1
Trifluoromethanesulfonic Acid SCHEMBL4020899 0.79 CA2 (0.50) CA2SMN1; SMN2CA1LMNAHTT
SCHEMBL51290 0.78 TSHR (0.50) SMN1; SMN2LMNAHTTTSHRHSD11B1
SCHEMBL452774 0.78 ALDH1A1 (0.46) CA2SMN1; SMN2CA1LMNAHTT

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
US-7759466-B2 Monoclonal antibodies to alpha-amylase BAYER CROPSCIENCE AG (DE) 2010-07-20 US disclosed
US-7759045-B2 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-20 US disclosed
US-20090004601-A1 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-01 US disclosed
US-6893794-B2 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-20040018445-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-01-29 US disclosed
US-20030068573-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-10 US disclosed