SCHEMBL7708260

SCHEMBL7708260

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.38
ALDH1A1 P00352 4/20 0.35
CA1 P00915 7/20 0.35
CA2 P00918 7/20 0.35
RORA P35398 1/20 0.34
MAPT P10636 1/20 0.34
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
SCHEMBL5372804 0.99 HSD11B1 (0.37) HSD11B1ALDH1A1CA1CA2RORA
SCHEMBL114859 0.94 ALDH1A1 (0.39) HSD11B1ALDH1A1CA1CA2RORA
SCHEMBL448974 0.93 ALDH1A1 (0.38) HSD11B1ALDH1A1CA1CA2RORA
SCHEMBL8038207 0.93 ALDH1A1 (0.38) HSD11B1ALDH1A1CA1CA2RORA
SCHEMBL7570325 0.90 ALDH1A1 (0.36) HSD11B1ALDH1A1CA1CA2RORA
SCHEMBL2438900 0.90 ALDH1A1 (0.42) HSD11B1ALDH1A1CA1CA2RORA
SCHEMBL51422 0.89 CA2 (0.38) CA1CA2MMP1MMP2MMP9
SCHEMBL213386 0.87 CA2 (0.40) CA1CA2MMP1MMP2MMP9
SCHEMBL59303 0.87 CA2 (0.40) CA1CA2MMP1MMP2MMP9
SCHEMBL2437858 0.87 HSD11B1 (0.34) HSD11B1ALDH1A1CA1CA2MAPT

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-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed