SCHEMBL28949367

SCHEMBL28949367

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
MGAM O43451 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
ALDH1A1 P00352 3/20 0.39
TRPA1 O75762 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GPR88 Q9GZN0 1/20 0.34

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
SCHEMBL5860230 0.94 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27969426 0.87 MAPT (0.43) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL28236019 0.86 GAA (0.60) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28949379 0.85 LMNA (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1081187 0.85 MGAM (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28949355 0.85 MAPT (0.37) GAAMGAMSIMGAM2MAPT
SCHEMBL28314711 0.83 MAPT (0.36) GAAMGAMSIMGAM2MAPT
SCHEMBL28316466 0.83 MAPT (0.36) GAAMGAMSIMGAM2MAPT
SCHEMBL28423604 0.82 MAPT (0.48) ALDH1A1MAPTTSHRKMT2ALMNA
SCHEMBL6790201 0.82 NAAA (0.42) ALDH1A1MAPTTSHRKMT2ALMNA

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
CN-115667350-A Blocked polyisocyanate composition, resin film, and laminate 旭化成株式会社 2023-01-31 CN disclosed