SCHEMBL28586607

SCHEMBL28586607

C=COC(C)=O.CC(C#N)=CC=Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.49
LMNA P02545 6/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.43
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GAA P10253 2/20 0.37
MAOB P27338 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
Butadiene SCHEMBL27396222 0.84 MCL1 (0.50) MCL1LMNAALDH1A1KDM4EHPGD
Benzene SCHEMBL28243692 0.84 MCL1 (0.56) MCL1LMNAALDH1A1KDM4EHPGD
SCHEMBL83957 0.84 MCL1 (0.56) MCL1LMNAALDH1A1KDM4EHPGD
Acrylamide SCHEMBL9862117 0.83 MCL1 (0.58) MCL1LMNAALDH1A1KDM4EHPGD
Methacrylic Acid SCHEMBL1030250 0.83 MCL1 (0.54) MCL1LMNAALDH1A1KDM4EHPGD
Acrylonitrile SCHEMBL3269498 0.83 MCL1 (0.49) MCL1LMNAALDH1A1KDM4EHPGD
Styrene SCHEMBL1533058 0.83 MCL1 (0.49) MCL1LMNAALDH1A1KDM4EHPGD
Acrylic Acid Methyl Ester SCHEMBL28604394 0.83 MCL1 (0.48) MCL1LMNAALDH1A1KDM4EHPGD
SCHEMBL11525986 0.82 MCL1 (0.40) MCL1LMNAALDH1A1KDM4EHPGD
SCHEMBL1032682 0.80 LMNA (0.49) MCL1LMNAALDH1A1KDM4EHPGD

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-109810439-B Polymethyl methacrylate resin composition having beautiful appearance and improved heat resistance, and preparation method and use thereof 万华化学集团股份有限公司 2021-07-23 CN claimed
CN-109810439-B Polymethyl methacrylate resin composition having beautiful appearance and improved heat resistance, and preparation method and use thereof 万华化学集团股份有限公司 2021-07-23 CN disclosed