SCHEMBL5136704

SCHEMBL5136704

CCOC(=O)C1CCN(S(C)(=O)=O)CC1.CS(=O)(=O)N1CCC(CO)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
TP53 P04637 1/20 0.56
LMNA P02545 1/20 0.54
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PKM P14618 2/20 0.53
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL561797 0.91 TP53 (0.67) HTTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL30432383 0.82 HTT (0.58) HTTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL560804 0.81 TP53 (0.48) HTTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL21375730 0.80 ALDH1A1 (0.58) HTTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL3019223 0.79 ALDH1A1 (0.61) HTTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL663520 0.78 MAPT (0.50) ALDH1A1KMT2AMEN1
SCHEMBL2374740 0.78 MAPT (0.50) ALDH1A1KMT2AMEN1
SCHEMBL663519 0.78 MAPT (0.50) ALDH1A1KMT2AMEN1
SCHEMBL19123323 0.77 ALDH1A1 (0.59) HTTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL26115468 0.77 MAPT (0.51) ALDH1A1KMT2AMEN1POLB

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-1951652-A1 PROCESS FOR PREPARING BETA- (FLUOROPHENYL) -PROPANOATE ESTER DERIVATIVES Astra Zeneca AB (SE) 2008-08-06 EP disclosed
WO-2007057643-A1 PROCESS FOR PREPARING BETA- (FLUOROPHENYL) -PROPANOATE ESTER DERIVATIVES ASTRAZENECA AB (SE) 2007-05-24 WO disclosed