SCHEMBL28023725

SCHEMBL28023725

C=C(C)OCCS(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
PSIP1 O75475 1/20 0.47
HSD11B1 P28845 6/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL1130280 0.85 MAPT (0.47) MAPTPSIP1HSD11B1POLBL3MBTL1
SCHEMBL12237322 0.84 CA2 (0.53) MAPTPSIP1HSD11B1POLBALDH1A1
SCHEMBL156165 0.82 HSD11B1 (0.55) MAPTPSIP1HSD11B1POLBL3MBTL1
SCHEMBL111775 0.80 HSD11B1 (0.53) MAPTPSIP1HSD11B1POLBL3MBTL1
SCHEMBL29323683 0.79 HSD11B1 (0.45) MAPTPSIP1HSD11B1POLBALDH1A1
SCHEMBL9394874 0.79 MAPT (0.47) MAPTPSIP1HSD11B1POLBALDH1A1
SCHEMBL7523793 0.79 HSD11B1 (0.51) MAPTPSIP1HSD11B1POLBL3MBTL1
SCHEMBL11499873 0.79 SMN1; SMN2 (0.44) MAPTPSIP1HSD11B1POLBALDH1A1
SCHEMBL16349315 0.78 HSD11B1 (0.47) MAPTPSIP1HSD11B1L3MBTL1LMNA
SCHEMBL27771900 0.78 HSD11B1 (0.53) MAPTPSIP1HSD11B1L3MBTL1LMNA

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
CN-103509135-B Olefin polymerization catalyst component, preparation method and application thereof CHINA PETROLEUM & CHEMICAL 2015-07-22 CN disclosed