SCHEMBL28242562

SCHEMBL28242562

C=C(C)C(=O)OCC.[CH]=Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
MAPT P10636 7/20 0.50
ALDH1A1 P00352 6/20 0.50
NR1H4 Q96RI1 1/20 0.44
LMNA P02545 5/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PLIN1 O60240 1/20 0.42
POLB P06746 1/20 0.42
PLIN5 Q00G26 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42
KDM4E B2RXH2 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
Styrene SCHEMBL142403 0.86 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1NR1H4
Styrene SCHEMBL8675988 0.83 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1NR1H4
Styrene SCHEMBL28382107 0.82 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1NR1H4
Styrene SCHEMBL29603552 0.82 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1NR1H4
Cinnamic Acid SCHEMBL27813787 0.82 HDAC3 (0.56) MEN1KMT2AMAPTALDH1A1LMNA
Biphenyl SCHEMBL27587021 0.82 MAPT (0.57) MEN1KMT2AMAPTALDH1A1LMNA
Benzene SCHEMBL29271689 0.81 THRB (0.57) MEN1KMT2AMAPTALDH1A1LMNA
Benzene SCHEMBL7154663 0.81 THRB (0.57) MEN1KMT2AMAPTALDH1A1LMNA
Styrene SCHEMBL10489430 0.81 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1NR1H4
Phenol SCHEMBL6136311 0.80 ALDH1A1 (0.56) MEN1KMT2AMAPTALDH1A1NR1H4

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
CN-108509075-A Digitizer and preparation method thereof 东友精细化工有限公司 2018-09-07 CN disclosed
CN-108509095-A Digitizer and preparation method thereof 东友精细化工有限公司 2018-09-07 CN disclosed