SCHEMBL7708614

SCHEMBL7708614

CC(C)(C)Oc1ccc([I+]c2ccc(OC(C)(C)C)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.32
CA1 P00915 10/20 0.32
HSD11B1 P28845 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 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
SCHEMBL6865932 0.86 HSD11B1 (0.40) CA2CA1HSD11B1MMP1MMP2
SCHEMBL2922351 0.84 HSD11B1 (0.40) CA2CA1HSD11B1MMP1MMP2
SCHEMBL114859 0.81 ALDH1A1 (0.39) CA2CA1HSD11B1MMP1MMP2
SCHEMBL1804138 0.81 ALDH1A1 (0.38) HSD11B1MMP1MMP9MMP13
Toliodium SCHEMBL2895493 0.81 TLR9 (0.39) CA2CA1MMP1MMP2MMP9
SCHEMBL1800746 0.80 ALDH1A1 (0.37) HSD11B1MMP1MMP9MMP13
SCHEMBL8038207 0.80 ALDH1A1 (0.38) CA2CA1HSD11B1MMP1MMP2
Trifluoromethanesulfonic Acid SCHEMBL64774 0.80 GPR3 (0.37) HSD11B1
SCHEMBL448974 0.80 ALDH1A1 (0.38) CA2CA1HSD11B1MMP1MMP2
Toliodium SCHEMBL2897584 0.80 CA2 (0.38) CA2CA1MMP1MMP2MMP9

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