SCHEMBL4753846

SCHEMBL4753846

Cc1ccccc1S(=O)(=O)OCC(C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
ESR1 P03372 2/20 0.39
KMT2A Q03164 2/20 0.39
ESR2 Q92731 2/20 0.39
GAA P10253 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 6/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
HTR6 P50406 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
SCHEMBL10916647 0.86 MEN1 (0.41) MEN1ESR1KMT2AESR2GAA
SCHEMBL5147546 0.82 ALDH1A1 (0.41) MEN1ESR1KMT2AESR2GAA
SCHEMBL140993 0.81 KMT2A (0.43) MEN1ESR1KMT2AESR2GAA
SCHEMBL10486326 0.80 ALDH1A1 (0.39) MEN1ESR1KMT2AESR2GAA
SCHEMBL4990027 0.80 CYP1A2 (0.40) MEN1ESR1KMT2AESR2GAA
SCHEMBL9765834 0.80 KMT2A (0.41) MEN1ESR1KMT2AESR2GAA
SCHEMBL3912338 0.80 MEN1 (0.37) MEN1ESR1KMT2AESR2GAA
SCHEMBL29083223 0.79 MEN1 (0.41) MEN1ESR1KMT2AESR2GAA
SCHEMBL11000896 0.78 KMT2A (0.45) MEN1ESR1KMT2AESR2GAA
SCHEMBL8654494 0.78 KMT2A (0.45) MEN1ESR1KMT2AESR2GAA

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
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO disclosed