SCHEMBL7755090

SCHEMBL7755090

CCCCOC(=O)C(C)OS(=O)(=O)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
ATM Q13315 1/20 0.41
TSHR P16473 3/20 0.39
HPGD P15428 2/20 0.39
HCAR2 Q8TDS4 1/20 0.37
ESR1 P03372 2/20 0.37
NAAA Q02083 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
STS P08842 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
EPHX1 P07099 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 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
SCHEMBL7755094 1.00 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL17469817 0.84 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL27029062 0.81 ALDH1A1 (0.40) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL7717518 0.81 ALDH1A1 (0.37) ALDH1A1TSHRHPGDL3MBTL1CA1
SCHEMBL7717519 0.81 ALDH1A1 (0.37) ALDH1A1TSHRHPGDL3MBTL1CA1
SCHEMBL9295221 0.79 NAAA (0.44) ALDH1A1TSHRHCAR2NAAANPSR1
SCHEMBL9295243 0.77 NAAA (0.47) ALDH1A1TSHRHCAR2NAAANPSR1
SCHEMBL9294698 0.77 NAAA (0.47) ALDH1A1TSHRHCAR2NAAANPSR1
SCHEMBL9294099 0.77 NAAA (0.47) ALDH1A1TSHRHCAR2NAAANPSR1
SCHEMBL9294643 0.77 NAAA (0.47) ALDH1A1TSHRHCAR2NAAANPSR1

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
EP-1075463-A1 CONVERSION OF A HYDROXY GROUP IN CERTAIN ALCOHOLS INTO A FLUOROSULFONATE ESTER OR A TRIFLUOROMETHYLSULFONATE ESTER Loewenthal, Hans Jacob Edgar (IL) 2001-02-14 EP claimed
WO-1999055666-A1 CONVERSION OF A HYDROXY GROUP IN CERTAIN ALCOHOLS INTO A FLUOROSULFONATE ESTER OR A TRIFLUOROMETHYLSULFONATE ESTER LOEWENTHAL HANS JACOB EDGAR (IL) 1999-11-04 WO claimed