SCHEMBL25376201

SCHEMBL25376201

CC(CO)(CO)CO.O=C1CC(=O)CC(c2cccc3ccccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.46
TP53 P04637 1/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
SLC6A4 P31645 5/20 0.40
DRD2 P14416 1/20 0.40
IDO1 P14902 1/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MTNR1B P49286 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PKM P14618 1/20 0.36
KDM1A O60341 1/20 0.36
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL25373829 0.87 MTNR1A (0.44) MTNR1ATP53RECQLMEN1KMT2A
SCHEMBL562292 0.85 MTNR1A (0.58) MTNR1ATP53RECQLKMT2ASLC6A4
SCHEMBL25375817 0.82 ALDH1A1 (0.38) TP53RECQLMEN1KMT2AIDO1
SCHEMBL25375621 0.82 TP53 (0.47) TP53RECQLMEN1KMT2AGAA
SCHEMBL25376601 0.80 TP53 (0.42) TP53RECQLKMT2AATMGAA
SCHEMBL25377000 0.78 MTNR1A (0.44) MTNR1ATP53MEN1KMT2AMAPT
SCHEMBL25374153 0.77 TP53 (0.40) TP53RECQLKMT2AGAAMAPT
SCHEMBL25374825 0.77 ALDH1A1 (0.42) TP53KMT2AGAA
SCHEMBL25375715 0.77 MAPT (0.68) TP53RECQLMEN1KMT2AGAA
SCHEMBL25377828 0.76 GAA (0.45) TP53RECQLMEN1KMT2ASLC6A4

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