SCHEMBL9754239

SCHEMBL9754239

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 2/20 0.46
EGFR P00533 2/20 0.46
HDAC3 O15379 1/20 0.46
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
BCHE P06276 4/20 0.42
TSHR P16473 1/20 0.42
ACHE P22303 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
PSMB11 A5LHX3 1/20 0.40
PSMA7 O14818 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMA1 P25786 1/20 0.40
PSMA2 P25787 1/20 0.40
PSMA3 P25788 1/20 0.40
PSMA4 P25789 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 1/20 0.40

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
Acrylic Acid SCHEMBL29184857 0.90 KDM4E (0.49) KDM4ETDP1EGFRHDAC3L3MBTL1
SCHEMBL29394 0.90 KDM4E (0.53) KDM4ETDP1EGFRHDAC3L3MBTL1
Butadiene SCHEMBL10718191 0.89 KDM4E (0.50) KDM4ETDP1EGFRHDAC3L3MBTL1
Acrylic Acid Methyl Ester SCHEMBL10706577 0.88 KDM4E (0.48) KDM4ETDP1EGFRHDAC3POLB
Styrene SCHEMBL522764 0.88 KDM4E (0.49) KDM4ETDP1EGFRHDAC3L3MBTL1
Maleic Acid SCHEMBL11028703 0.87 KDM4E (0.50) KDM4ETDP1EGFRHDAC3L3MBTL1
Acrylic Acid Methyl Ester SCHEMBL10705212 0.86 KDM4E (0.47) KDM4ETDP1EGFRHDAC3POLB
Acrylic Acid Ethyl Ester SCHEMBL5153322 0.86 TSHR (0.48) KDM4ETDP1EGFRHDAC3L3MBTL1
Methacrylic Acid SCHEMBL390016 0.85 KDM4E (0.49) KDM4ETDP1EGFRHDAC3L3MBTL1
Acetone SCHEMBL9353497 0.85 KDM4E (0.45) KDM4ETDP1EGFRHDAC3POLB

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
WO-1991018739-A1 WATER-BORNE ACRYLIC EMULSION PRESSURE SENSITIVE LATEX ADHESIVE COMPOSITION ASHLAND OIL, INC. (US) 1991-12-12 WO disclosed