SCHEMBL28423604

SCHEMBL28423604

CCCC(C)COC(=O)CCC(=O)OCC(C)CCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRKCA P17252 3/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
DGKA P23743 1/20 0.38
LPAR6 P43657 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR4 Q99677 1/20 0.37
LPAR5 Q9H1C0 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
SCHEMBL27969426 0.92 MAPT (0.43) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL25888303 0.92 MAPT (0.43) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL27297441 0.92 MAPT (0.59) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL22231527 0.90 MAPT (0.58) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL17100534 0.90 MAPT (0.62) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL28375922 0.89 CA1 (0.42) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL1405857 0.88 MAPT (0.66) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL1574977 0.88 HTR2C (0.53) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL5860230 0.87 MGAM (0.46) MAPTTSHRCYP3A4ATMTDP1
SCHEMBL6790201 0.87 NAAA (0.42) MAPTTSHRCYP3A4ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053936-B Preparation method of polyvinyl butyral resin 吉林吉诺树脂科技有限公司 2020-07-07 CN claimed
CN-109266058-B Catalysis method and use method of water-based inorganic nano-coating 湖南凯斯利新材料有限公司 2021-07-16 CN disclosed