SCHEMBL7702919

SCHEMBL7702919

CC(C)(C)C(=O)COc1ccc([I+]c2ccc(OCC(=O)C(C)(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
AR P10275 2/20 0.46
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
VDR P11473 1/20 0.42
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ALOX15 P16050 1/20 0.37

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
SCHEMBL12622681 0.81 LMNA (0.53) SMN1; SMN2ARALDH1A1MAPK1NPC1
SCHEMBL10931456 0.81 MAPK1 (0.59) SMN1; SMN2ARALDH1A1HTTMAPK1
SCHEMBL8247256 0.81 MAPT (0.54) SMN1; SMN2ARALDH1A1HIF1ATDP1
SCHEMBL8624905 0.80 PTGS2 (0.51) SMN1; SMN2ARALDH1A1LMNAMAPT
SCHEMBL11169076 0.80 MAPT (0.49) SMN1; SMN2ARALDH1A1HTTNPC1
SCHEMBL12622683 0.80 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1HIF1ATDP1VDR
SCHEMBL934362 0.80 ALDH1A1 (0.55) SMN1; SMN2ARALDH1A1MAPT
SCHEMBL421801 0.79 ALOX15 (0.61) SMN1; SMN2ALDH1A1HTTNPC1LMNA
SCHEMBL7708595 0.79 SMN1; SMN2 (0.46) SMN1; SMN2ARALDH1A1HTTHIF1A
SCHEMBL506467 0.79 PPARG (0.53) SMN1; SMN2ARALDH1A1HTTHIF1A

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 1 patent. 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