Acrylonitrile

Acrylonitrile

SCHEMBL29106928

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

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
PLIN1 O60240 2/20 0.38
RECQL P46063 2/20 0.38
PLIN5 Q00G26 2/20 0.38
ABHD5 Q8WTS1 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
CYP2C9 P11712 2/20 0.38
TNKS O95271 1/20 0.38

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
SCHEMBL28107411 0.92 MAPT (0.44) LMNAALDH1A1MAPTHDAC3HDAC4
Acrylonitrile SCHEMBL2138933 0.81 ALDH1A1 (0.46) LMNAALDH1A1MAPTHDAC3HDAC4
SCHEMBL20548109 0.81 HDAC3 (0.41) LMNAALDH1A1MAPTHDAC3HDAC4
SCHEMBL5583507 0.80 MAPT (0.50) LMNAALDH1A1MAPTHDAC3HDAC4
Acrylonitrile SCHEMBL7887387 0.79 MAPT (0.48) LMNAALDH1A1MAPTHDAC3HDAC4
Acrylonitrile SCHEMBL4449071 0.78 MEN1 (0.49) LMNAALDH1A1MAPTSMN1; SMN2GLA
Acrylonitrile SCHEMBL9067820 0.78 CYP3A4 (0.44) LMNAALDH1A1MAPTHDAC3HDAC4
SCHEMBL11307419 0.77 MAPT (0.50) LMNAALDH1A1MAPTHDAC3HDAC4
SCHEMBL11416086 0.77 ALDH1A1 (0.39) LMNAALDH1A1MAPTHDAC3HDAC4
Acrylonitrile SCHEMBL28581699 0.76 LMNA (0.46) LMNAALDH1A1MAPTHDAC3HDAC4

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-117062885-A Adhesive composition and article 电化株式会社 2023-11-14 CN claimed
CN-117062885-A Adhesive composition and article 电化株式会社 2023-11-14 CN disclosed