SCHEMBL4979552

SCHEMBL4979552

C=C(C)C(=O)OC.CCCCOC(=O)C(C=Cc1ccccc1)=CC=C(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.41
EGFR P00533 1/20 0.39
HDAC3 O15379 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BCHE P06276 4/20 0.38
TSHR P16473 3/20 0.38
APP P05067 1/20 0.38
ACHE P22303 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL10777528 0.92 KDM4E (0.53) KDM4ETDP1POLBEGFRHDAC3
SCHEMBL2499527 0.91 KDM4E (0.45) KDM4ETDP1POLBEGFRHDAC3
SCHEMBL2462247 0.91 KDM4E (0.45) KDM4ETDP1POLBEGFRHDAC3
SCHEMBL6936052 0.89 ALDH1A1 (0.45) KDM4ETDP1EGFRMEN1KMT2A
SCHEMBL11394468 0.88 KDM4E (0.48) KDM4ETDP1POLBEGFRHDAC3
SCHEMBL7699557 0.87 KDM4E (0.48) KDM4ETDP1POLBEGFRHDAC3
Butadiene SCHEMBL9698277 0.87 KDM4E (0.53) KDM4ETDP1POLBEGFRHDAC3
SCHEMBL464928 0.84 TDP1 (0.50) KDM4ETDP1POLBEGFRHDAC3
Methacrylic Acid SCHEMBL27295497 0.82 KDM4E (0.47) KDM4ETDP1EGFRHDAC3BCHE
SCHEMBL4243868 0.82 KDM4E (0.60) KDM4ETDP1POLBMEN1KMT2A

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
US-20080085965-A1 Thermosetting Powder Coating Composition KANSAI PAINT CO., LTD (JP) 2008-04-10 US disclosed