Styrene

Styrene

SCHEMBL6556232

C=C(CC=Cc1ccccc1)C(=O)OCCCC.C=Cc1ccccc1

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 3/20 0.46
PAM P19021 1/20 0.43
TSHR P16473 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.39
BCHE P06276 4/20 0.38
MAOB P27338 1/20 0.38
CYP3A4 P08684 3/20 0.38
ACHE P22303 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EGFR P00533 1/20 0.37
HDAC3 O15379 1/20 0.37
HPGD P15428 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL455010 0.95 KDM4E (0.51) KDM4ETDP1PAMTSHRL3MBTL1
SCHEMBL7242327 0.90 TSHR (0.47) KDM4ETDP1PAMTSHRPOLB
SCHEMBL9442161 0.90 TSHR (0.47) KDM4ETDP1PAMTSHRPOLB
Styrene SCHEMBL313118 0.89 KDM4E (0.42) KDM4ETDP1TSHRL3MBTL1BCHE
Acrylic Acid Ethyl Ester SCHEMBL7900245 0.89 TSHR (0.46) KDM4ETDP1PAMTSHRL3MBTL1
SCHEMBL7717061 0.88 KDM4E (0.46) KDM4ETDP1PAMTSHRL3MBTL1
Acrylic Acid SCHEMBL4579173 0.88 KDM4E (0.43) KDM4ETDP1PAMTSHRL3MBTL1
SCHEMBL9770214 0.87 TSHR (0.47) KDM4ETDP1PAMTSHRL3MBTL1
SCHEMBL4579799 0.86 TSHR (0.46) KDM4ETDP1PAMTSHRCYP3A4
SCHEMBL4445828 0.85 TSHR (0.45) KDM4ETDP1PAMTSHRL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1172421-B1 Water-based ink composition KAO CORP (JP) 2004-12-29 EP disclosed
US-6740690-B2 COMPRISING A POLYBASIC ACID, AN IONIC POLYMER AND A COLORING AGENT; FOR INK JET RECORDING KAO CORPORATION (JP) 2004-05-25 US disclosed
US-20020016385-A1 Comprising a polybasic acid, an ionic polymer and a coloring agent; for ink jet recording KAO CORPORATION (JP) 2002-02-07 US disclosed
EP-1172421-A1 Water-based ink composition KAO CORPORATION (JP) 2002-01-16 EP disclosed