SCHEMBL25377828

SCHEMBL25377828

CC(CO)(CO)CO.O=C1CC(=O)CC(c2ccc3ccccc3c2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SLC6A4 P31645 12/20 0.40
DRD2 P14416 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A2 P23975 8/20 0.37
SLC6A3 Q01959 8/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
TP53 P04637 1/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL25375863 0.87 GAA (0.43) GAAMAPTSLC6A4DRD2MEN1
SCHEMBL25377346 0.86 SLC6A2 (0.39) GAAMAPTSLC6A4MEN1KMT2A
SCHEMBL28920303 0.85 MAPT (0.60) GAAMAPTSLC6A4DRD2KMT2A
SCHEMBL25375715 0.83 MAPT (0.68) GAAMAPTMEN1KMT2ATP53
SCHEMBL29008637 0.81 MAPT (0.56) GAAMAPTMEN1KMT2ATP53
SCHEMBL25373836 0.81 MAPT (0.40) GAAMAPTDRD2KMT2AHTR2C
SCHEMBL29008626 0.80 GAA (0.51) GAAMAPTMEN1KMT2AHTR2C
SCHEMBL25375871 0.80 MAPT (0.46) GAAMAPTSLC6A4DRD2MEN1
SCHEMBL25374648 0.79 GAA (0.47) GAAMAPT
SCHEMBL25376890 0.78 ALDH1A1 (0.46) GAAMAPTDRD2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399510-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-14 US disclosed
EP-4239010-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-09-06 EP disclosed
CN-116323753-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2023-06-23 CN disclosed
CN-115996931-A Cyclic diol compound, process for producing the compound, and use of the compound 新日本理化株式会社 2023-04-21 CN disclosed