SCHEMBL30136909

SCHEMBL30136909

CN(C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.40
CCR5 P51681 2/20 0.40
HTT P42858 1/20 0.39
HTR2A P28223 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL9687135 1.00 POLB (0.45) POLBALDH1A1MAPTHPGDTDP1
SCHEMBL28712277 1.00 POLB (0.45) POLBALDH1A1MAPTHPGDTDP1
SCHEMBL28694366 0.89 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL28705506 0.89 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL9208976 0.89 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL336792 0.89 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL9205224 0.89 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL9727986 0.89 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL337168 0.89 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTDP1ATM
SCHEMBL5391201 0.87 POLB (0.48) POLBALDH1A1MAPTHPGDTDP1

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-115490625-A Synthesis and refining method of meropenem side chain 山东鑫泉医药有限公司 2022-12-20 CN disclosed