SCHEMBL12744484

SCHEMBL12744484

C=C(C)C(=O)CCOc1ccc(C(=O)Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 5/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 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
SCHEMBL1885852 0.82 GAA (0.60) L3MBTL1MAPTGAAPOLBAPEX1
SCHEMBL3627310 0.81 LTA4H (0.50) L3MBTL1MAPTGAAPOLBAPEX1
SCHEMBL5454372 0.80 HTT (0.63) L3MBTL1MAPTGAAPOLBAPEX1
SCHEMBL10954272 0.79 MAPT (0.59) L3MBTL1MAPTGAAALDH1A1TSHR
SCHEMBL9223923 0.79 HTT (0.74) L3MBTL1MAPTGAAPOLBAPEX1
SCHEMBL9191710 0.79 HTT (0.70) L3MBTL1MAPTGAAPOLBAPEX1
SCHEMBL2021140 0.78 KDM4E (0.49) L3MBTL1MAPTGAAPOLBHTT
SCHEMBL6450157 0.78 HTT (0.77) L3MBTL1GAAPOLBAPEX1HTT
SCHEMBL8351473 0.78 L3MBTL1 (0.41) L3MBTL1MAPTGAAPOLBAPEX1
SCHEMBL162987 0.76 TP53 (0.64) L3MBTL1GAAALDH1A1TSHRSMN1; SMN2

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
US-7910179-B2 Vinylsulfone derivative, liquid crystal composition comprising the same and compensation film using the same liquid crystal composition LG CHEM, LTD. (KR) 2011-03-22 US disclosed
US-20070114493-A1 Vinylsulfone derivative, liquid crystal composition comprising the same and compensation film using the same liquid crystal composition LG CHEM, LTD. (KR) 2007-05-24 US disclosed