SCHEMBL10940583

SCHEMBL10940583

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 4/20 0.39
TSHR P16473 3/20 0.38
HPGD P15428 1/20 0.38
EGFR P00533 1/20 0.38
AKR1B10 O60218 2/20 0.37
AKR1B1 P15121 2/20 0.37
BCHE P06276 4/20 0.37
APP P05067 2/20 0.36
ACHE P22303 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
AKR1C3 P42330 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL8752529 0.85 EGFR (0.45) KDM4ETDP1EGFRBCHEACHE
Acrylic Acid SCHEMBL29184857 0.85 KDM4E (0.49) KDM4ETDP1TSHRHPGDEGFR
SCHEMBL28053687 0.84 EGFR (0.40) TDP1EGFRAKR1B10AKR1B1BCHE
Styrene SCHEMBL10612528 0.83 TSHR (0.49) TDP1TSHRHPGDLMNAL3MBTL1
Acrylic Acid Ethyl Ester SCHEMBL5153322 0.83 TSHR (0.48) KDM4ETDP1TSHRHPGDEGFR
Acrylic Acid Methyl Ester SCHEMBL10706577 0.83 KDM4E (0.48) KDM4ETDP1TSHRHPGDEGFR
SCHEMBL29394 0.83 KDM4E (0.53) KDM4ETDP1TSHREGFRAKR1B10
Maleic Acid SCHEMBL11028703 0.82 KDM4E (0.50) KDM4ETDP1TSHREGFRBCHE
Butadiene SCHEMBL10718191 0.82 KDM4E (0.50) KDM4ETDP1TSHREGFRAKR1B10
SCHEMBL10905565 0.82 TSHR (0.44) KDM4ETDP1TSHRHPGDEGFR

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-4520088-A COPOLYMER OF A STYRENE, AN ALKYL ACRYLATE WITH A C-4 OR GREATER ALKYL, AND A C-3 OR SMALLER ALKYL ACRYLATE MITSUBISHI PAPER MILLS, LTD. (JP) 1985-05-28 US disclosed