SCHEMBL11265282

SCHEMBL11265282

CCOC(=O)C(C(C)=O)C(C(=O)CC)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
CDC25B P30305 3/20 0.42
KDM4E B2RXH2 2/20 0.40
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40
NPBWR1 P48145 1/20 0.38
LTC4S Q16873 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL7060201 0.83 ALDH1A1 (0.46) ALDH1A1HPGDCDC25BKDM4ECDC25A
SCHEMBL11252362 0.82 CASP1 (0.48) ALDH1A1HPGDKMT2A
SCHEMBL11381253 0.80 ALDH1A1 (0.38) ALDH1A1HPGDCDC25BCDC25ACDC25C
SCHEMBL11265183 0.79 EPHX2 (0.38) ALDH1A1HPGDKDM4EKMT2A
SCHEMBL846623 0.78 ALDH1A1 (0.49) ALDH1A1HPGDCDC25BKDM4ECDC25A
SCHEMBL11266327 0.78 MMP8 (0.47) ALDH1A1KMT2A
SCHEMBL11255136 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2A
SCHEMBL14582249 0.76 ALDH1A1 (0.45) ALDH1A1HPGDCDC25BKDM4ECDC25A
SCHEMBL1433197 0.76 ALDH1A1 (0.53) ALDH1A1HPGDCDC25BKDM4ECDC25A
SCHEMBL11580303 0.76 ALDH1A1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4360520-A 1,4-Dihydropyridazine compounds, and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed