SCHEMBL7702806

SCHEMBL7702806

CC(C)(C)c1ccc([S+](c2ccccc2)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
HSD11B1 P28845 7/20 0.38
ALDH1A1 P00352 7/20 0.34
MAOA P21397 1/20 0.34
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HSD17B3 P37058 1/20 0.32
UQCRB P14927 1/20 0.32
HSD17B2 P37059 1/20 0.32
RECQL P46063 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL7708183 0.95 ALDH1A1 (0.38) HSD11B1ALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL7708207 0.89 GPR3 (0.34) CA1CA2PTPN1
SCHEMBL7702718 0.86 GPR3 (0.35) ALDH1A1MAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL7708749 0.86 GPR3 (0.35) ALDH1A1MAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL546756 0.86 HSD11B1 (0.36) HSD11B1ALDH1A1MAOAMAPTNPC1
Trifluoromethanesulfonic Acid SCHEMBL3136704 0.84 HSD11B1 (0.41) HSD11B1ALDH1A1MAOAMAPTNPC1
Trifluoromethanesulfonic Acid SCHEMBL51512 0.84 HSD11B1 (0.41) HSD11B1ALDH1A1MAOAMAPTNPC1
SCHEMBL29745785 0.83 HSD11B1 (0.40) HSD11B1ALDH1A1MAOAMAPTNPC1
SCHEMBL2437122 0.83 HSD11B1 (0.40) HSD11B1ALDH1A1MAOAMAPTNPC1
SCHEMBL1089234 0.82 HSD11B1 (0.38) HSD11B1ALDH1A1MAOAMAPTTP53

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