SCHEMBL5372804

SCHEMBL5372804

CC(C)(C)c1ccc([I+]c2ccccc2)cc1.CC(C)(C)c1ccc([I+]c2ccccc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.37
CA2 P00918 8/20 0.36
CA1 P00915 7/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 1/20 0.33
RORA P35398 1/20 0.33
MMP1 P03956 3/20 0.33
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
MMP8 P22894 3/20 0.33
MMP13 P45452 3/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL7708260 0.99 HSD11B1 (0.38) HSD11B1CA2CA1ALDH1A1MAPT
SCHEMBL448974 0.95 ALDH1A1 (0.38) HSD11B1CA2CA1ALDH1A1MAPT
SCHEMBL8038207 0.95 ALDH1A1 (0.38) HSD11B1CA2CA1ALDH1A1MAPT
SCHEMBL114859 0.93 ALDH1A1 (0.39) HSD11B1CA2CA1ALDH1A1MAPT
SCHEMBL7570325 0.89 ALDH1A1 (0.36) HSD11B1CA2CA1ALDH1A1MAPT
SCHEMBL213386 0.89 CA2 (0.40) CA2CA1MMP1MMP2MMP9
SCHEMBL59303 0.89 CA2 (0.40) CA2CA1MMP1MMP2MMP9
SCHEMBL2438900 0.89 ALDH1A1 (0.42) HSD11B1CA2CA1ALDH1A1MAPT
SCHEMBL51422 0.87 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL2437858 0.86 HSD11B1 (0.34) HSD11B1CA2CA1ALDH1A1MAPT

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-7223518-B2 Compositions and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2007-05-29 US disclosed
WO-2004108769-A2 COMPOSITION AND METHOD OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2004-12-16 WO disclosed
US-20040248034-A1 Compositions and methods of use thereof HENDERSON CLIFFORD L (US) 2004-12-09 US disclosed