Acrylonitrile

Acrylonitrile

SCHEMBL28085295

C=C(C)C(=O)OC1CCCCC1.C=CC#N

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
HTT P42858 1/20 0.36
NAAA Q02083 2/20 0.34
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MMP9 P14780 2/20 0.31
MMP12 P39900 2/20 0.31
MMP1 P03956 1/20 0.31
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
Water SCHEMBL28110386 0.88 EPHX1 (0.44) EPHX1HTTNAAACYP2C19ALDH1A1
SCHEMBL28113038 0.86 EPHX1 (0.41) EPHX1HTTNAAACYP2C19ALDH1A1
SCHEMBL28878275 0.86 EPHX1 (0.46) EPHX1HTTNAAACYP2C19ALDH1A1
SCHEMBL16297135 0.86 EPHX1 (0.46) EPHX1HTTNAAACYP2C19ALDH1A1
SCHEMBL18823066 0.86 EPHX1 (0.46) EPHX1HTTNAAACYP2C19ALDH1A1
SCHEMBL22480 0.86 EPHX1 (0.46) EPHX1HTTNAAACYP2C19ALDH1A1
SCHEMBL1052594 0.86 EPHX1 (0.46) EPHX1HTTNAAACYP2C19ALDH1A1
SCHEMBL887989 0.86 EPHX1 (0.46) EPHX1HTTNAAACYP2C19ALDH1A1
SCHEMBL440149 0.86 EPHX1 (0.46) EPHX1HTTNAAACYP2C19ALDH1A1
SCHEMBL18822970 0.86 EPHX1 (0.46) EPHX1HTTNAAACYP2C19ALDH1A1

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-104619775-B Polycarbonate resin composition and molded article 出光兴产株式会社 2016-08-17 CN disclosed