SCHEMBL28079137

SCHEMBL28079137

CC(=C[C]=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.45
CES2 O00748 1/20 0.45
AKR1B1 P15121 1/20 0.45
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTBP2 P56545 1/20 0.37
EPHX2 P34913 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PAM P19021 1/20 0.36

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
SCHEMBL95525 0.77 CES1 (0.50) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL95524 0.77 CES1 (0.50) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL523309 0.76 CES1 (0.48) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL4712967 0.76 CES1 (0.45) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL3937723 0.74 CES1 (0.46) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL27522721 0.74 CES1 (0.46) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL6155435 0.74 CES1 (0.46) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL11316646 0.73 CES1 (0.52) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL11642644 0.73 CES1 (0.46) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL11316649 0.73 CES1 (0.52) CES1CES2AKR1B1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105873959-B Primary aqueous dispersion, Its Preparation Method And Use 巴斯夫涂料有限公司 2019-02-12 CN disclosed
CN-106103496-B Aqueous primary dispersion, method for the production thereof and use thereof 巴斯夫涂料有限公司 2019-02-05 CN disclosed
CN-105874017-B The method for being used to prepare the formulation comprising pigment and filler 巴斯夫涂料有限公司 2018-08-28 CN disclosed
CN-107541014-A Composition epoxy resin 三键有限公司 2018-01-05 CN disclosed
CN-106103496-A Aqueous primary dispersion, method for the production thereof and use thereof 巴斯夫涂料有限公司 2016-11-09 CN disclosed
CN-105899627-A Formulations containing pigment and filler 巴斯夫涂料有限公司 2016-08-24 CN disclosed
CN-105874017-A Method for producing formulations containing a pigment and a filler 巴斯夫涂料有限公司 2016-08-17 CN disclosed
CN-105873959-A Aqueous primary dispersions, method for producing same, and use thereof 巴斯夫涂料有限公司 2016-08-17 CN disclosed