SCHEMBL28615664

SCHEMBL28615664

CCOC(=O)C(OC)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
CDC25B P30305 3/20 0.48
CDC25A P30304 1/20 0.45
CDC25C P30307 1/20 0.45
AOC3 Q16853 1/20 0.44
NPBWR1 P48145 1/20 0.44
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
LTC4S Q16873 1/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL12742303 0.86 KMT2A (0.45) ALDH1A1HPGDAOC3KMT2AMAPK1
SCHEMBL1433197 0.83 ALDH1A1 (0.53) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL15203285 0.81 KMT2A (0.52) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL31360448 0.81 KMT2A (0.52) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL10412730 0.81 ALDH1A1 (0.51) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL25156303 0.81 KMT2A (0.52) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL8728993 0.81 ALDH1A1 (0.45) ALDH1A1HPGDAOC3KDM4EKMT2A
SCHEMBL27660510 0.81 ALDH1A1 (0.48) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL20514279 0.80 ALDH1A1 (0.50) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL6656374 0.80 ALDH1A1 (0.50) ALDH1A1HPGDCDC25BCDC25ACDC25C

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-113308704-B Electrooxidation preparation method of naproxen intermediate 湖南大学 2022-04-08 CN disclosed
CN-113308704-A Electrooxidation preparation method of naproxen intermediate 湖南大学 2021-08-27 CN disclosed