SCHEMBL7708228

SCHEMBL7708228

CC(C)(C)c1ccc(S(OS(=O)(=O)C(F)(F)C(F)C(F)(F)F)(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RORA P35398 1/20 0.39
HSD11B1 P28845 9/20 0.38
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
HSD17B3 P37058 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 1/20 0.34
GMNN O75496 1/20 0.34
DRD1 P21728 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL7708209 0.81 HSD11B1 (0.34) ALDH1A1SMN1; SMN2HSD11B1CA1CA2
SCHEMBL220568 0.81 ALDH1A1 (0.48) ALDH1A1TP53SMN1; SMN2RORAHSD11B1
SCHEMBL13721506 0.80 ALDH1A1 (0.39) ALDH1A1TP53SMN1; SMN2RORAHSD11B1
SCHEMBL16195010 0.80 HSD11B1 (0.45) ALDH1A1TP53SMN1; SMN2RORAHSD11B1
SCHEMBL954742 0.80 HSD11B1 (0.45) ALDH1A1RORAHSD11B1GAAHSD17B3
SCHEMBL2436995 0.78 ALDH1A1 (0.46) ALDH1A1TP53SMN1; SMN2RORAHSD11B1
SCHEMBL2438154 0.78 ALDH1A1 (0.46) ALDH1A1TP53SMN1; SMN2RORAHSD11B1
SCHEMBL387181 0.77 HSD11B1 (0.50) ALDH1A1RORAHSD11B1CA1CA2
SCHEMBL3136709 0.77 HSD11B1 (0.50) ALDH1A1RORAHSD11B1CA1CA2
SCHEMBL16195277 0.76 HSD11B1 (0.41) ALDH1A1TP53SMN1; SMN2RORAHSD11B1

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-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US claimed
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