SCHEMBL9304736

SCHEMBL9304736

O=C1OC[C@@H](COS(=O)(=O)c2ccccc2[N+](=O)[O-])O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
ACHE P22303 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
PKM P14618 2/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
GSK3B P49841 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL9546855 1.00 PRMT5 (0.44) PRMT5WDR77ACHEKMT2AMEN1
SCHEMBL10500771 0.84 PRMT5 (0.60) PRMT5WDR77ACHEKMT2AMEN1
SCHEMBL4658490 0.84 PRMT5 (0.60) PRMT5WDR77ACHEKMT2AMEN1
SCHEMBL3901109 0.84 PRMT5 (0.60) PRMT5WDR77ACHEKMT2AMEN1
SCHEMBL9303799 0.81 PRMT5 (0.53) PRMT5WDR77ACHEKMT2AMEN1
SCHEMBL9303794 0.81 PRMT5 (0.53) PRMT5WDR77ACHEKMT2AMEN1
SCHEMBL7537706 0.80 LMNA (0.47) PRMT5WDR77ACHEKMT2AMEN1
SCHEMBL9304971 0.79 PRMT5 (0.74) PRMT5WDR77ACHEKMT2AMEN1
SCHEMBL9304964 0.79 PRMT5 (0.74) PRMT5WDR77ACHEKMT2AMEN1
SCHEMBL9305032 0.74 ALDH1A1 (0.48) PRMT5WDR77KMT2AMEN1PKM

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-5326885-A Process of preparing enriched enantiomers of glycerol carbonate and derivatives thereof for synthesis of β-blockers COGNIS, INC. (US) 1994-07-05 US disclosed