SCHEMBL7702931

SCHEMBL7702931

CC(C)(C)OC(=O)c1ccc(-c2[c]ccc(C(C)(C)C)c2-c2ccc(C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
PDK2 Q15119 1/20 0.32
STAT3 P40763 2/20 0.32
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ELANE P08246 2/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SENP1 Q9P0U3 1/20 0.31

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
SCHEMBL7711374 0.83 CA12 (0.44) CA12CA1CA2CA9CA14
SCHEMBL7708629 0.83 CA1 (0.44) CA12CA1CA2CA9CA14
SCHEMBL7711588 0.82 ELANE (0.48) CA2ELANE
SCHEMBL7708522 0.76 SENP1 (0.37) CA1CA2ALOX15ALDH1A1LMNA
SCHEMBL7711445 0.76 RIPK1 (0.31)
SCHEMBL7711372 0.75 CA12 (0.47) CA12CA1CA2CA9CA14
SCHEMBL7702892 0.75 TSHR (0.34)
SCHEMBL7711403 0.74 PTGS2 (0.36) CA12CA1CA2CA9CA14
SCHEMBL6350965 0.74 CA12 (0.71) CA12CA1CA2CA9CA14
SCHEMBL7708203 0.73 MEN1 (0.31)

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