SCHEMBL7708183

SCHEMBL7708183

CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
HSD11B1 P28845 5/20 0.35
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RORA P35398 1/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
EEF2K O00418 1/20 0.32
MAPT P10636 4/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
HPGD P15428 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 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
SCHEMBL7702806 0.95 HSD11B1 (0.38) ALDH1A1HSD11B1TP53SMN1; SMN2GAA
SCHEMBL7702833 0.85 AGER (0.36) ALDH1A1SMN1; SMN2ACHELMNAGAA
SCHEMBL7708812 0.83 ALDH1A1 (0.34) ALDH1A1CA1CA2CA9MEN1
Trifluoromethanesulfonic Acid SCHEMBL36543 0.82 ALDH1A1 (0.46) ALDH1A1HSD11B1TP53SMN1; SMN2RORA
SCHEMBL7705618 0.82 ALDH1A1 (0.38) ALDH1A1HSD11B1TP53SMN1; SMN2RORA
SCHEMBL7708622 0.82 ESR1 (0.35) LMNACA1CA2CA9
SCHEMBL7708207 0.81 GPR3 (0.34) LMNACA1CA2CA9HPGD
SCHEMBL2434949 0.81 ALDH1A1 (0.44) ALDH1A1HSD11B1TP53SMN1; SMN2RORA
SCHEMBL29745790 0.81 ALDH1A1 (0.44) ALDH1A1HSD11B1TP53SMN1; SMN2RORA
SCHEMBL7708749 0.80 GPR3 (0.35) ALDH1A1SMN1; SMN2ACHELMNAGAA

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